data_2cug_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 2cug _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 ' 16' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.845 0.355 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 2.5 p90 -151.22 143.03 23.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.62 142.98 33.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.845 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.468 ' CZ ' HD22 ' A' ' 69' ' ' LEU . 58.9 m-85 -55.84 -42.79 76.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.1 mmt-85 -64.93 -39.9 94.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.0 -57.86 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.85 -33.61 74.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.34 42.08 3.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -133.52 169.11 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.318 . . . . 0.0 111.182 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -115.87 176.19 5.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -53.0 -37.4 61.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.4 m -58.11 -24.72 59.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.69 128.31 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' ALA . 3.5 m -106.79 169.06 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' SER . 12.0 mm-40 -35.61 -33.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -68.61 -61.11 1.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -56.68 -46.06 81.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.1 mt -61.56 -49.8 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 2.0 tmmm? -54.0 -61.06 2.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.488 ' N ' ' HD2' ' A' ' 35' ' ' LYS . 49.4 tttt -52.47 -42.5 64.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.72 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.404 ' CG ' ' CD2' ' A' ' 66' ' ' TYR . 2.9 t80 -66.92 -63.42 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -53.32 -42.94 67.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -58.78 -42.87 90.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.453 HD22 ' CD1' ' A' ' 45' ' ' TRP . 7.2 mt -72.87 -38.7 66.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.75 -37.33 82.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.5 mtp85 -74.74 -44.51 49.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -69.94 -53.21 18.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.453 ' CD1' HD22 ' A' ' 41' ' ' LEU . 79.2 m95 -84.05 14.46 4.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.568 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.8 t-80 -58.68 137.01 86.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.568 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 53.7 Cg_endo -69.7 -16.87 38.0 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.25 -43.47 92.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.62 -30.03 13.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.431 ' ND2' ' HB2' ' A' ' 55' ' ' ALA . 38.9 m-20 -72.39 124.46 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -111.07 -30.75 7.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.13 144.21 50.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 116.94 4.79 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.0 -36.86 2.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.431 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . . . -40.75 -56.54 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.777 0.322 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 57' ' ' ASP . 5.0 mp0 -42.21 -60.34 1.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' GLU . 8.2 t70 -36.16 -59.15 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -50.17 -54.53 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -51.8 -56.99 10.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.1 mt -44.72 -41.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -73.08 -55.57 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.4 mt -42.25 -45.14 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 t -64.87 -41.24 95.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -63.73 -46.71 84.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.1 -48.66 61.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.543 ' CD1' ' HB2' ' A' ' 70' ' ' SER . 11.0 t80 -69.76 -44.02 71.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -39.38 -41.46 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.6 mt -67.63 -64.26 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.468 HD22 ' CZ ' ' A' ' 20' ' ' TYR . 14.0 mt -60.17 -60.94 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.543 ' HB2' ' CD1' ' A' ' 66' ' ' TYR . 8.6 t -34.57 -50.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -71.76 132.63 44.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -65.45 -51.1 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -57.98 -50.32 73.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -60.83 -48.74 80.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.8 ttp85 -55.08 -58.5 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 87.8 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.944 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.836 0.35 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 3.4 p90 -143.33 148.18 35.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 1.5 t70 -101.36 141.23 22.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 54.3 Cg_endo -69.7 -35.17 13.32 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -73.3 -41.73 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.8 mtt-85 -68.55 -40.56 80.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.77 -58.19 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.4 mt -62.33 -34.0 75.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.47 48.69 3.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -130.79 159.61 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -109.21 174.1 6.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -50.53 -37.42 39.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 t -57.85 -26.26 61.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.12 134.41 46.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 32' ' ' ALA . 9.3 m -119.06 174.21 6.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -38.15 -30.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -72.31 -61.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -57.69 -37.35 73.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.9 mt -63.71 -54.78 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -57.9 -34.49 69.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -75.75 -41.45 53.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.59 86.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.561 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 1.6 t80 -58.78 -67.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.944 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.561 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 53.2 mttt -38.19 -59.33 0.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 40' ' ' LYS . 8.2 mptt -45.28 -60.29 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 mt -47.07 -53.24 13.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.47 -35.75 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -67.45 -41.19 85.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.96 -55.93 5.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -77.44 8.41 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.565 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.8 t-80 -53.73 132.52 56.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.539 0.685 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.565 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 53.5 Cg_endo -69.77 -32.71 18.0 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.679 2.253 . . . . 0.0 112.369 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -53.94 -42.13 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -89.19 -29.89 18.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.469 ' ND2' ' HB1' ' A' ' 55' ' ' ALA . 32.4 m-20 -81.09 132.02 35.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -111.4 -36.94 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -53.75 144.31 35.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 116.14 4.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 129.48 -43.8 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.469 ' HB1' ' ND2' ' A' ' 50' ' ' ASN . . . -37.07 -46.59 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -55.61 -48.69 74.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -44.25 -61.3 1.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -51.27 -55.36 18.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -42.8 -43.8 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.6 mt -58.6 -46.72 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -58.1 -45.34 87.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 41.0 mt -52.03 -54.44 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.177 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 t -59.31 -51.32 70.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -54.85 -39.25 68.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.91 92.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 70' ' ' SER . 13.9 t80 -66.18 -42.84 88.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -39.28 -51.26 2.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.9 mt -49.45 -54.06 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 71' ' ' ASN . 4.8 mt -72.05 -62.77 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 66' ' ' TYR . 46.0 p -41.84 -25.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.816 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' LEU . 19.2 t-20 -90.07 131.59 35.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -62.98 -55.55 24.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -51.13 -67.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -45.89 -60.0 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -52.75 -36.46 57.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.3 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.917 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.891 0.376 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 7.5 p90 -137.09 158.32 44.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.81 141.66 24.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.639 0.733 . . . . 0.0 110.833 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.83 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.525 ' CE1' HD23 ' A' ' 69' ' ' LEU . 68.2 m-85 -56.96 -36.41 70.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -71.42 -40.41 70.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.1 t -63.1 -57.26 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.3 mt -58.95 -33.9 71.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.58 35.55 4.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -122.87 163.43 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 111.136 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -115.2 168.52 9.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -40.87 -55.02 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.409 HG21 ' N ' ' A' ' 29' ' ' ALA . 13.6 t -43.83 -35.85 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.409 ' N ' HG21 ' A' ' 28' ' ' THR . . . -62.58 128.87 38.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' GLN . 4.0 t -109.71 174.05 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 30' ' ' SER . 12.6 mm-40 -36.32 -63.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.44 -60.93 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.436 ' C ' ' OD1' ' A' ' 33' ' ' ASP . 3.5 t0 -52.7 -46.92 67.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.465 HG22 ' CE1' ' A' ' 66' ' ' TYR . 55.7 mt -51.69 -65.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -40.87 -49.38 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -62.95 -37.81 88.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.6 82.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.543 ' CG ' ' CD2' ' A' ' 66' ' ' TYR . 17.6 t80 -60.52 -67.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -36.58 -59.28 0.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -44.4 -52.0 8.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mt -65.64 -35.34 80.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.31 71.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -77.5 -43.81 30.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.27 -53.62 13.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -83.17 12.78 4.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.423 ' ND1' ' HB2' ' A' ' 48' ' ' ASP . 1.7 t-160 -56.28 125.75 66.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.85 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.404 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 54.2 Cg_endo -69.72 -26.28 27.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.423 ' HB2' ' ND1' ' A' ' 46' ' ' HIS . 4.3 m-20 -62.08 -36.59 82.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -96.6 -29.99 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 31.0 m-20 -74.4 118.68 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -99.17 -34.68 10.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -56.21 141.53 69.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.627 0.727 . . . . 0.0 110.834 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.02 5.43 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.06 -40.25 1.67 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -43.31 -42.41 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.724 0.297 . . . . 0.0 111.084 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -57.64 -55.22 37.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -42.4 -58.55 2.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -57.12 -47.66 80.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -47.29 -48.54 24.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.8 mt -51.79 -48.43 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.41 ' OE1' ' CE2' ' A' ' 17' ' ' PHE . 12.2 mm100 -58.66 -48.59 80.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.6 mt -54.41 -53.75 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 t -62.23 -47.14 85.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -61.73 -29.5 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.14 -51.0 23.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.543 ' CD2' ' CG ' ' A' ' 38' ' ' TYR . 9.4 t80 -67.39 -44.25 79.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -38.52 -45.33 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 75.6 mt -55.35 -66.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.525 HD23 ' CE1' ' A' ' 20' ' ' TYR . 33.5 mt -56.53 -54.69 42.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 69' ' ' LEU . 22.2 t -34.25 -49.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 73' ' ' GLU . 20.5 t-20 -72.35 123.59 23.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 7.6 pt-20 -56.82 -37.19 70.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.469 ' N ' ' OD1' ' A' ' 71' ' ' ASN . 2.8 tt0 -71.19 -67.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -45.23 -43.36 10.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.9 ttt-85 -57.91 -62.74 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 31.9 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 t70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.338 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.9 p90 -157.32 158.23 35.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.58 143.37 26.41 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.642 0.734 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -38.27 8.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.352 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.505 ' CE1' HD22 ' A' ' 69' ' ' LEU . 32.4 m-85 -69.9 -41.78 74.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -64.94 -45.82 84.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.63 -58.88 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.139 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.6 mt -56.57 -36.75 69.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.19 38.61 3.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -125.37 165.78 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -115.07 173.46 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -21.08 49.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.4 p -72.88 -14.74 61.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.88 132.81 34.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' GLN . 35.1 m -97.96 162.63 13.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' SER . 15.5 tp60 -35.68 -49.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.66 -66.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -43.15 -40.68 3.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.5 mt -56.16 -56.67 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.412 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -41.21 -60.44 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -51.11 -37.69 47.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.78 85.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.451 ' CG ' ' CD2' ' A' ' 66' ' ' TYR . 3.9 t80 -62.46 -52.64 62.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -39.71 -60.45 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -46.1 -65.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.2 mt -48.69 -38.58 21.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.42 -33.15 73.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.071 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -76.43 -45.32 31.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -71.59 -54.53 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.481 ' CE3' ' HB3' ' A' ' 58' ' ' ARG . 84.4 m95 -80.5 12.83 2.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.501 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.2 t-80 -54.42 115.79 9.31 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.594 0.712 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.557 ' HD3' ' CD2' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.79 -25.16 28.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.501 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 3.9 m-20 -65.25 -32.15 73.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -100.97 -30.11 11.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.462 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 25.6 m-20 -77.53 115.89 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.04 -33.2 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -55.95 142.06 65.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.566 0.698 . . . . 0.0 110.904 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 118.18 5.53 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.83 -43.89 1.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -44.64 -40.96 6.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.728 0.299 . . . . 0.0 111.056 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ASP . 13.4 tt0 -60.88 -55.67 30.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' GLU . 2.2 t70 -36.19 -62.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.481 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 10.6 tpt180 -52.61 -55.31 23.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.557 ' CD2' ' HD3' ' A' ' 47' ' ' PRO . 7.0 t80 -44.04 -54.68 5.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 54.8 mt -45.08 -45.48 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.68 -45.94 84.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 35.5 mt -55.71 -61.11 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 t -49.69 -46.49 50.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -64.03 -37.7 88.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.24 -53.08 54.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.512 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 15.7 t80 -66.62 -47.69 71.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -38.66 -51.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.1 mt -52.72 -53.77 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.505 HD22 ' CE1' ' A' ' 20' ' ' TYR . 24.1 mt -65.09 -61.89 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.512 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 10.5 t -38.42 -47.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.461 ' CB ' ' HD3' ' A' ' 74' ' ' LYS . 8.1 m-80 -76.46 116.31 17.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -55.5 -40.59 71.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -59.02 -60.15 4.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.461 ' HD3' ' CB ' ' A' ' 71' ' ' ASN . 0.2 OUTLIER -57.4 -54.85 42.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -44.45 -53.14 7.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 79.3 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 -179.926 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.9 t0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.853 0.358 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 1.5 p90 -157.83 138.24 12.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -93.58 142.84 25.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.619 0.723 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -45.51 1.52 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.349 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.512 ' CD1' HD11 ' A' ' 69' ' ' LEU . 6.4 m-85 -61.67 -37.12 82.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -70.57 -43.44 69.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.4 t -59.48 -56.13 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.3 mt -63.61 -33.19 75.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.27 47.05 3.92 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 m -131.32 165.54 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.86 178.08 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -57.12 -31.27 65.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 t -65.56 -22.14 66.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.48 130.32 42.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' GLN . 50.1 p -113.0 172.45 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 30' ' ' SER . 17.3 mm-40 -36.94 -40.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.15 -63.9 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -51.44 -45.28 62.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.8 mt -59.92 -65.9 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -47.81 -38.87 16.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -69.53 -40.58 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.23 -38.78 82.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -60.77 -60.44 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -47.95 -59.0 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -48.16 -46.36 34.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mt -62.94 -41.76 99.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.08 92.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -66.84 -43.75 82.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.49 -54.21 11.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -82.54 17.21 1.84 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -61.79 132.51 93.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.81 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -29.39 24.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.728 2.285 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.45 -36.18 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -95.61 -30.17 13.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -77.82 131.76 37.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -101.27 -32.64 10.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.66 131.93 71.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.562 0.696 . . . . 0.0 110.903 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 117.74 5.26 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.752 2.301 . . . . 0.0 112.36 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 129.42 -38.91 1.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' GLY . . . -37.05 -39.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -52.73 -49.6 65.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.89 -57.87 3.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -57.58 -48.49 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -47.57 -44.97 26.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.0 mt -60.18 -48.12 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -61.31 -46.93 88.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.6 mt -49.61 -47.37 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -69.61 -45.42 68.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.425 ' HA ' ' CD ' ' A' ' 67' ' ' GLU . 53.2 mmtt -63.12 -22.92 67.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.64 -34.39 27.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 70' ' ' SER . 17.6 t80 -78.63 -49.69 12.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.425 ' CD ' ' HA ' ' A' ' 64' ' ' LYS . 13.9 pt-20 -42.76 -36.5 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.44 -57.46 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.512 HD11 ' CD1' ' A' ' 20' ' ' TYR . 24.0 mt -65.66 -57.92 6.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.545 ' HB3' ' CE1' ' A' ' 66' ' ' TYR . 60.7 p -34.56 -49.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -79.72 131.18 35.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -59.07 -54.14 50.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -49.51 -67.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -49.97 -49.92 48.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.4 ttp85 -48.38 -59.0 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 94.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.815 0.341 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.6 p90 -149.18 147.35 28.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 3.8 t70 -93.53 141.16 23.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.592 0.711 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 54.0 Cg_endo -69.77 -41.86 3.9 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.332 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.419 ' CZ ' HD21 ' A' ' 69' ' ' LEU . 82.3 m-85 -69.44 -42.62 74.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -63.66 -47.65 80.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.2 t -59.59 -64.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.6 mt -53.38 -34.3 57.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.64 46.32 3.22 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -131.05 177.33 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -113.52 178.14 4.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.9 mmm-85 -63.84 -26.96 68.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 t -76.64 -8.84 58.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.33 123.46 17.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 32' ' ' ALA . 3.6 m -100.35 157.27 16.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 30' ' ' SER . 51.1 mm-40 -34.36 -33.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -70.53 -59.44 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.063 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.61 -43.57 80.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.4 mt -62.32 -54.8 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -51.88 -44.11 63.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -66.0 -37.23 85.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.69 -29.58 63.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -73.9 -65.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 43' ' ' ARG . 22.3 mttm -43.41 -44.45 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -59.64 4.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.6 mt -59.0 -57.9 11.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.5 -38.39 20.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 39' ' ' LYS . 79.7 mtt180 -65.55 -45.18 84.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -68.7 -54.92 13.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.519 ' CD1' HD13 ' A' ' 62' ' ' ILE . 79.7 m95 -78.9 8.22 5.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.495 ' CE1' ' HB3' ' A' ' 48' ' ' ASP . 4.5 t-80 -54.23 125.2 49.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.605 0.716 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.421 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.9 Cg_endo -69.77 -1.04 7.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.495 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -77.88 -37.74 47.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -101.35 -29.94 11.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.453 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 30.3 m-20 -69.26 121.05 16.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -101.64 -33.16 10.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.24 141.68 76.85 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.0 5.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.356 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.14 -39.44 1.85 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.03 -36.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 111.091 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ASP . 24.3 tt0 -58.29 -63.73 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' GLU . 3.2 m-20 -36.75 -60.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -45.54 53.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -63.22 -32.86 74.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.6 mm -58.03 -37.76 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -77.37 -47.29 20.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.519 HD13 ' CD1' ' A' ' 45' ' ' TRP . 50.1 mt -54.69 -45.79 73.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 t -69.84 -44.86 69.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -61.67 -35.92 79.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.34 82.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.432 ' CE2' ' OG ' ' A' ' 70' ' ' SER . 16.8 t80 -67.38 -44.78 78.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -38.41 -40.07 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 34.1 mt -68.53 -58.27 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 70' ' ' SER . 32.0 mt -64.96 -60.82 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 69' ' ' LEU . 4.6 t -34.55 -48.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -84.14 130.81 34.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -64.19 -48.19 76.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -51.73 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -55.78 -51.78 66.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -47.24 -61.48 1.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 82.1 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.7 p90 -144.09 148.09 34.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.32 144.06 27.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.719 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -43.66 2.53 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.325 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.545 ' CE2' HD22 ' A' ' 69' ' ' LEU . 62.3 m-85 -62.54 -37.45 86.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -68.44 -43.81 76.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.0 t -61.46 -53.89 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.6 mt -65.77 -34.47 78.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.54 44.98 3.56 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -136.25 165.39 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.108 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -111.73 174.25 5.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -51.95 -33.86 39.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.438 ' N ' ' HG2' ' A' ' 27' ' ' ARG . 24.1 p -59.64 -24.74 64.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.86 127.78 33.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' ALA . 8.0 m -107.35 169.86 8.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' SER . 2.1 tp60 -34.67 -33.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -68.38 -59.64 3.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -60.03 -44.42 94.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.7 mt -61.38 -49.37 84.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -56.09 -55.95 26.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -59.31 -39.46 83.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.99 -39.11 90.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -62.65 -58.98 5.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -59.55 2.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -42.33 -51.92 4.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mt -60.39 -56.99 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.49 -41.26 29.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.5 mtt85 -62.72 -45.14 94.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -68.73 -57.78 5.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.495 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 82.9 m95 -77.51 8.52 4.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.42 ' ND1' ' HD2' ' A' ' 47' ' ' PRO . 1.3 t-80 -51.97 115.84 7.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.5 ' HD3' ' CG ' ' A' ' 59' ' ' PHE . 53.4 Cg_endo -69.72 -8.2 23.0 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.742 2.295 . . . . 0.0 112.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -77.6 -37.29 50.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -99.27 -27.19 13.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' A' ' 55' ' ' ALA . 33.7 m-20 -73.47 132.27 42.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.38 -35.44 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -53.13 137.28 48.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 112.42 3.07 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.71 -40.24 1.64 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HB3' ' ND2' ' A' ' 50' ' ' ASN . . . -40.05 -44.66 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -55.77 -45.18 78.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -49.63 -49.94 45.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.495 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 20.4 tpt85 -62.91 -44.59 95.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.5 ' CG ' ' HD3' ' A' ' 47' ' ' PRO . 46.1 t80 -53.66 -42.94 68.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.3 mt -56.63 -44.48 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.163 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -62.39 -51.71 66.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.433 HD11 ' CD1' ' A' ' 45' ' ' TRP . 20.0 mt -50.81 -51.72 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -58.97 -46.06 89.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -60.04 -40.67 90.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.23 -51.65 69.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 70' ' ' SER . 12.2 t80 -66.09 -44.37 84.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -38.55 -47.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.29 -62.26 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.545 HD22 ' CE2' ' A' ' 20' ' ' TYR . 11.8 mt -61.24 -63.74 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 19.7 t -37.05 -49.42 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -76.98 128.03 33.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -61.86 -47.48 84.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -52.42 -61.45 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -56.08 -54.02 50.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -46.78 -57.4 4.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 5.0 p90 -151.29 150.18 30.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -94.65 144.01 27.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -46.88 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.549 ' CE2' HD23 ' A' ' 69' ' ' LEU . 86.3 m-85 -61.35 -41.74 97.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -65.46 -43.94 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.2 t -58.09 -56.02 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.3 mt -65.47 -28.65 69.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.28 39.65 5.97 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -129.98 175.23 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 111.092 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -114.98 173.53 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.2 ptt-85 -56.32 -30.05 62.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.1 p -66.96 -20.78 65.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.64 129.55 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 32' ' ' ALA . 21.9 t -106.4 165.73 11.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' SER . 57.4 mm-40 -35.6 -34.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -67.42 -61.92 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -55.41 -42.79 74.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.49 HG21 ' CD1' ' A' ' 66' ' ' TYR . 33.2 mt -64.55 -55.24 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -55.81 -27.37 50.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -85.71 -36.13 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.26 -23.85 60.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.096 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.546 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 1.8 t80 -75.55 -66.96 0.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.546 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 18.4 mttt -45.55 -45.05 13.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.51 -57.5 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mt -61.36 -58.8 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.27 -28.38 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -79.07 -38.66 35.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -74.15 -53.71 9.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -80.56 10.48 4.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.555 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.8 t-80 -59.43 135.16 88.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.555 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 53.8 Cg_endo -69.77 -34.82 13.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.284 . . . . 0.0 112.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.44 -34.53 66.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -100.07 -30.11 12.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -80.06 107.91 13.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -38.09 65.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -53.7 132.83 55.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.733 . . . . 0.0 110.854 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 118.47 5.7 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.12 -33.15 3.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -37.52 -36.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.723 0.297 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.55 -50.79 70.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -38.61 -56.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -56.5 -52.93 62.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -45.21 -43.43 10.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.3 mt -57.14 -51.32 70.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -59.53 -49.29 78.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 32.2 mt -53.83 -48.08 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 t -67.12 -45.71 76.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -58.57 -37.76 76.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.85 -47.86 79.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 9.3 t80 -65.81 -45.75 81.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -42.09 -32.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.7 mt -70.93 -64.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.549 HD23 ' CE2' ' A' ' 20' ' ' TYR . 53.3 mt -59.9 -53.86 52.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.548 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 23.0 t -34.86 -52.33 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -81.75 138.27 35.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -63.07 -59.92 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -47.22 -53.59 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -60.57 -36.78 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -66.68 -41.09 88.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.5 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.896 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.825 0.345 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.0 p90 -157.03 143.91 18.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.434 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 3.6 m-20 -94.9 143.37 26.03 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.606 0.717 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -48.32 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -62.2 -41.53 98.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -63.86 -40.49 96.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 18' ' ' ASP . 88.8 t -65.07 -53.06 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.72 -15.45 63.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.04 44.45 54.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.497 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.42 168.7 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 111.144 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -116.96 178.07 4.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -20.47 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.0 p -74.54 -16.62 60.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.97 126.83 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' GLN . 89.5 p -104.01 166.07 10.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.466 ' NE2' ' HA ' ' A' ' 70' ' ' SER . 32.1 tp60 -37.03 -34.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.16 -58.5 4.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -59.85 -40.9 90.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.4 mt -56.06 -48.63 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.114 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.3 tttt -57.42 -43.91 84.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -66.97 -31.98 72.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.99 -43.65 74.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.076 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -57.89 -62.32 1.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -38.05 -67.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -41.78 -57.77 2.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.8 mt -54.23 -37.28 64.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.08 -35.6 71.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -73.45 -42.24 62.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -74.0 -53.77 9.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -81.42 15.61 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.543 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.8 t-80 -61.02 134.88 93.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.562 0.696 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.543 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 54.0 Cg_endo -69.71 -32.99 17.7 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.47 -34.16 70.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -95.66 -30.04 13.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 34.2 m-20 -79.87 119.52 22.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -97.91 -25.12 15.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.1 141.7 98.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.634 0.73 . . . . 0.0 110.871 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 116.51 4.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 57' ' ' ASP . . . 129.52 -41.57 1.53 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -36.98 -39.31 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -62.17 -45.91 91.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' GLY . 31.2 t0 -48.06 -53.21 17.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.1 tpp85 -64.93 -47.41 77.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -45.92 -35.8 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.1 mt -69.95 -47.3 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -58.82 -38.35 78.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.5 mt -61.01 -47.5 93.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 t -68.2 -43.14 78.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -60.36 -37.15 79.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.46 -57.73 8.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -56.65 -43.34 80.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -38.42 -51.08 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.7 mt -53.08 -51.0 42.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 70' ' ' SER . 7.8 mt -72.82 -64.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.466 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 8.7 t -34.33 -52.41 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -70.71 107.02 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -40.14 -60.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -46.29 -65.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -44.41 -49.57 9.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.946 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.3 ttp85 -57.09 -61.93 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 63.3 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 -179.913 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.842 0.353 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 2.5 p90 -140.63 144.78 35.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.56 143.15 26.15 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -43.17 2.83 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.713 2.275 . . . . 0.0 112.315 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -64.51 -39.83 94.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -64.49 -44.87 89.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.97 -56.99 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.461 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 62.9 mt -64.84 -41.25 95.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.9 47.16 2.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -125.35 174.46 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -125.7 174.45 8.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -45.43 -58.92 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.9 p -46.23 -22.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.68 116.79 13.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLN . 53.4 m -106.97 174.33 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.454 ' NE2' ' CD ' ' A' ' 75' ' ' ARG . 7.2 mm-40 -34.62 -42.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.48 -63.58 1.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -52.26 -45.52 65.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.4 mt -54.83 -57.29 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.428 ' CG ' ' HE2' ' A' ' 39' ' ' LYS . 5.5 ttpm? -44.21 -63.26 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -50.07 -33.24 17.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.5 -49.48 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' LYS . 17.9 t80 -56.48 -60.02 4.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' HE2' ' CG ' ' A' ' 35' ' ' LYS . 3.3 mptp? -36.49 -50.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -56.92 -57.82 10.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 15.9 mt -56.79 -59.04 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.407 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . . . -52.78 -34.61 54.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -73.15 -43.31 61.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -68.97 -58.39 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.553 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 64.6 m95 -78.66 10.63 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -54.39 120.04 23.98 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 0.96 4.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -89.18 -35.0 16.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -99.22 -29.93 12.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.452 ' ND2' ' HB2' ' A' ' 55' ' ' ALA . 31.8 m-20 -68.13 133.86 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.97 -41.64 7.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -53.34 132.86 52.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.73 . . . . 0.0 110.848 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.6 3.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.38 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ASP . . . 132.66 -37.21 2.05 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.452 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . . . -36.93 -40.39 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.724 0.297 . . . . 0.0 111.063 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -54.17 -47.85 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 54' ' ' GLY . 3.1 t70 -43.01 -59.43 2.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.553 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 18.1 tpt180 -54.82 -48.73 72.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -49.05 -49.76 39.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.7 mt -47.71 -44.12 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -60.82 -53.94 51.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.9 mt -47.96 -49.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.7 t -61.17 -49.24 78.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -56.87 -40.15 75.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.48 -50.17 68.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 70' ' ' SER . 17.4 t80 -62.13 -48.07 81.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -38.42 -43.58 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.3 mt -57.41 -51.68 66.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' SER . 6.2 mt -75.56 -59.57 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 13.3 t -36.67 -44.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -74.58 120.87 20.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -56.34 -44.23 79.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.97 -61.59 1.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -50.11 -44.21 52.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.454 ' CD ' ' NE2' ' A' ' 31' ' ' GLN . 55.4 ttt-85 -58.07 -61.6 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 86.5 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.812 0.339 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.442 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 6.4 p90 -149.14 162.16 40.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.461 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 1.4 t70 -111.91 141.18 24.33 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.597 0.713 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 53.5 Cg_endo -69.76 -39.67 6.22 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.743 2.295 . . . . 0.0 112.339 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.552 ' CE1' HD23 ' A' ' 69' ' ' LEU . 13.0 m-85 -68.82 -47.67 65.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -60.82 -44.62 96.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 18' ' ' ASP . 95.5 t -63.56 -55.62 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.491 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 10.6 mt -58.36 -22.74 54.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.07 49.42 5.31 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.59 166.79 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 111.121 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -114.18 177.55 4.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -55.21 -30.92 60.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.3 p -64.75 -22.89 67.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.75 126.28 29.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' GLN . 7.1 m -106.29 163.89 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.467 ' N ' HD11 ' A' ' 34' ' ' ILE . 24.7 mm-40 -35.87 -35.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.04 -57.83 7.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.488 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 5.4 m-20 -59.61 -37.82 79.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.467 HD11 ' N ' ' A' ' 31' ' ' GLN . 21.2 mt -56.44 -48.91 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -55.6 -54.51 43.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.488 ' CD ' ' HA ' ' A' ' 33' ' ' ASP . 13.3 ptmt -59.06 -48.66 80.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.39 -23.23 63.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.633 ' CD2' ' CD2' ' A' ' 66' ' ' TYR . 2.7 t80 -73.88 -68.02 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -48.08 -45.63 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -50.43 -55.59 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 23' ' ' LEU . 9.6 mt -60.84 -41.63 96.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.79 81.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 14.2 mtp-105 -76.89 -37.63 55.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -70.72 -57.37 4.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -83.52 12.73 5.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.499 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 5.2 t-80 -54.69 139.89 59.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.631 0.729 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.499 ' HD2' ' CG ' ' A' ' 46' ' ' HIS . 53.8 Cg_endo -69.79 -42.34 3.46 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.413 ' HB2' ' ND1' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -56.47 -31.44 64.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -92.77 -30.09 15.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.456 ' ND2' ' HB2' ' A' ' 55' ' ' ALA . 64.8 m-20 -85.24 126.31 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -98.5 -32.6 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.15 139.64 64.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.631 0.729 . . . . 0.0 110.867 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 116.13 4.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ASP . . . 119.71 -38.97 2.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.456 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . . . -36.97 -43.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.761 0.315 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -50.72 -45.11 58.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 54' ' ' GLY . 4.7 m-20 -42.72 -54.69 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -54.19 -49.16 69.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.484 ' CG ' ' HD3' ' A' ' 47' ' ' PRO . 53.5 t80 -54.16 -42.01 69.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.1 mt -58.39 -42.61 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.134 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -68.91 -52.17 32.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 32.9 mt -50.65 -46.89 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -63.22 -47.21 83.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -58.28 -37.85 75.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.74 88.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.633 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 13.2 t80 -70.39 -42.81 71.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -41.7 -36.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.2 mt -73.27 -53.53 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.552 HD23 ' CE1' ' A' ' 20' ' ' TYR . 10.6 mt -66.48 -61.37 2.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 66' ' ' TYR . 59.9 p -41.48 -40.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -82.5 139.09 34.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -76.57 -50.47 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -52.77 -52.49 56.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -62.45 -62.45 1.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -47.07 -63.7 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 62.2 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.898 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.82 0.343 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 5.2 p90 -130.4 162.46 29.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 1.5 t70 -104.8 141.12 21.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.555 0.693 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 53.9 Cg_endo -69.71 -36.72 10.41 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.562 ' CE1' HD12 ' A' ' 69' ' ' LEU . 5.2 m-85 -70.71 -39.82 73.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.957 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -66.41 -48.57 69.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.1 t -59.58 -55.45 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.2 mt -60.21 -41.46 93.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.93 47.5 2.07 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.505 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 29' ' ' ALA . 3.8 m -135.7 153.12 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -105.56 174.71 5.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -44.16 -53.45 6.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.3 m -43.4 -35.68 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.462 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . . . -66.97 122.78 18.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -102.02 177.19 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -43.03 -42.48 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.8 -62.24 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -54.14 -45.2 71.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.2 mt -54.31 -48.7 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -51.52 -62.18 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -56.57 -43.79 80.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.86 82.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -57.22 -58.23 9.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.14 -45.59 43.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -46.83 -59.16 3.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.411 ' CB ' HG22 ' A' ' 62' ' ' ILE . 13.3 mt -59.34 -55.63 32.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.12 -38.32 17.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -66.86 -44.46 80.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -68.64 -57.91 5.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.517 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 83.7 m95 -80.06 12.07 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.5 t-80 -52.66 117.39 10.76 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.6 0.714 . . . . 0.0 110.867 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.407 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.5 Cg_endo -69.84 -24.34 29.43 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.556 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 1.8 m-20 -67.66 -35.72 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -96.59 -29.93 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 29.0 m-20 -71.68 107.96 4.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -73.55 -42.48 61.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.31 132.69 52.45 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.621 0.724 . . . . 0.0 110.855 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 118.48 5.71 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.24 . . . . 0.0 112.331 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.57 -36.55 2.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.87 -41.74 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.713 0.292 . . . . 0.0 111.068 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' ASP . 51.5 tt0 -52.71 -53.53 46.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' GLU . 6.3 t70 -34.67 -57.93 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.517 ' HG2' ' CD2' ' A' ' 45' ' ' TRP . 5.8 tpt85 -57.64 -48.91 78.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -50.64 -50.94 53.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.6 mt -45.97 -45.97 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.66 -49.07 78.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.44 HD11 ' CD1' ' A' ' 45' ' ' TRP . 19.7 mt -54.37 -55.3 15.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -55.96 -49.98 72.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -59.16 -40.62 86.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.6 -55.81 29.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 70' ' ' SER . 15.0 t80 -63.57 -42.69 98.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -40.04 -43.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.9 mt -61.26 -55.05 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 20' ' ' TYR . 23.3 mt -67.01 -61.52 1.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 9.8 t -35.81 -48.84 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -69.14 145.86 52.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 4.6 pt-20 -80.69 -38.23 29.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 24.1 mt-10 -66.72 -64.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -47.46 -54.69 10.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -51.85 -57.79 8.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 82.5 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.9 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.493 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.0 p90 -140.64 154.78 46.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.402 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 2.5 t70 -97.56 140.31 21.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.587 0.708 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 53.5 Cg_endo -69.8 -42.93 2.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.623 2.215 . . . . 0.0 112.356 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -64.58 -43.32 94.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -64.15 -45.95 86.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.6 t -57.25 -62.09 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.429 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 82.9 mt -62.68 -43.28 99.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.97 45.87 2.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.404 ' HB ' ' CB ' ' A' ' 29' ' ' ALA . 0.8 OUTLIER -120.44 170.81 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 111.141 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -121.79 177.86 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -48.49 -58.93 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 t -46.89 -24.05 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.404 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . . . -70.7 119.51 14.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 31' ' ' GLN . 2.7 m -112.19 173.99 6.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 30' ' ' SER . 6.6 tp-100 -34.32 -41.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.95 -64.56 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.168 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -56.93 -41.67 78.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.523 HG23 ' CE1' ' A' ' 66' ' ' TYR . 38.4 mt -53.97 -66.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -44.29 -53.05 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -58.17 -37.6 75.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.27 -43.77 81.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -57.09 -60.5 3.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -40.29 -52.14 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -50.87 -57.04 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 4.6 mt -56.67 -59.8 4.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.17 -39.73 30.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -64.68 -44.04 91.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -70.0 -57.83 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.438 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 74.5 m95 -79.22 11.54 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.3 t-80 -51.92 116.07 7.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.722 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.416 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.9 Cg_endo -69.78 -15.59 37.09 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.566 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -70.34 -38.54 74.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -97.2 -30.14 13.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.458 ' ND2' ' HB2' ' A' ' 55' ' ' ALA . 30.6 m-20 -69.77 140.4 53.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -112.95 -34.89 5.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.66 136.19 71.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.606 0.717 . . . . 0.0 110.88 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 104.57 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.639 2.226 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.35 -42.61 0.93 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.458 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . . . -38.15 -43.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' ASP . 15.4 tt0 -55.27 -57.82 10.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' GLU . 9.0 m-20 -34.79 -51.04 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.438 ' HG2' ' CD2' ' A' ' 45' ' ' TRP . 11.6 tpt180 -66.12 -51.11 61.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -46.12 -45.1 16.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.7 mt -56.39 -45.53 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -62.35 -46.95 86.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.5 mt -50.58 -53.78 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.8 t -58.53 -46.58 86.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -57.52 -42.43 82.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.2 -56.72 15.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 9.5 t80 -58.01 -47.0 84.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.923 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -38.33 -46.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 78.2 mt -57.01 -53.32 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 70' ' ' SER . 8.9 mt -71.73 -62.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.568 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 4.4 t -34.38 -47.71 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -79.28 135.36 36.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -63.21 -59.28 4.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -47.22 -67.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -41.92 -60.58 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.3 ttp85 -43.17 -56.99 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 94.3 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.904 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 5.1 p90 -136.56 152.43 50.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 1.4 t70 -88.76 141.1 29.69 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 54.1 Cg_endo -69.7 -34.32 15.02 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.691 2.26 . . . . 0.0 112.411 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.53 ' CE2' HD23 ' A' ' 69' ' ' LEU . 33.8 m-85 -74.19 -27.92 61.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -78.64 -42.4 28.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.8 -60.64 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.6 mt -58.71 -32.01 68.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.98 43.01 4.54 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -135.11 174.13 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 111.074 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -120.36 176.33 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -55.9 -30.47 61.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.413 ' N ' ' HG2' ' A' ' 27' ' ' ARG . 9.0 t -68.14 -18.63 64.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.78 120.31 20.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.061 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.8 m -97.22 172.07 8.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -40.2 -34.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.19 -67.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -55.35 -43.67 75.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 37' ' ' ALA . 41.2 mt -59.63 -66.31 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -39.3 -45.46 1.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -64.6 -36.77 85.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' ILE . . . -71.11 -37.71 72.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.406 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 2.8 t80 -64.61 -64.15 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 17.7 mttt -48.17 -55.08 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -49.3 -48.4 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.42 -58.88 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.55 -42.68 34.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -66.26 -43.17 87.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -66.32 -59.86 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -77.74 8.95 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -53.84 123.72 40.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.402 ' HD3' ' CG ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.74 -32.53 18.45 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -54.43 -31.83 56.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -103.16 -30.05 10.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.473 ' ND2' ' HB3' ' A' ' 55' ' ' ALA . 5.7 t-20 -67.78 139.86 56.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -102.55 -32.1 10.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -60.19 125.44 81.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.708 . . . . 0.0 110.846 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 104.32 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.727 2.285 . . . . 0.0 112.36 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.66 -34.82 2.0 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.537 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.473 ' HB3' ' ND2' ' A' ' 50' ' ' ASN . . . -37.72 -41.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ASP . 32.7 tt0 -42.38 -55.87 3.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' GLU . 37.0 t0 -35.24 -58.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -58.62 -54.93 41.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.402 ' CG ' ' HD3' ' A' ' 47' ' ' PRO . 12.3 t80 -44.56 -40.92 6.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 75.3 mt -60.48 -47.95 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.439 ' NE2' ' CE2' ' A' ' 17' ' ' PHE . 11.0 mm100 -56.66 -45.72 81.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 35.1 mt -49.16 -42.3 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -70.38 -42.26 71.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -60.76 -47.94 84.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.68 -49.93 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -66.45 -48.61 69.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -39.25 -42.3 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 29.4 mt -63.51 -58.28 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.53 HD23 ' CE2' ' A' ' 20' ' ' TYR . 11.4 mt -66.67 -61.47 1.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' LEU . 8.0 t -34.5 -52.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -77.62 127.94 33.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.16 -56.1 26.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -41.78 -60.32 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -58.3 9.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.1 ttt-85 -40.95 -59.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 91.4 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 -179.909 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.1 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.542 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 1.2 p90 -148.16 137.94 22.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.423 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 1.6 t70 -97.15 141.15 22.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.717 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 54.0 Cg_endo -69.74 -37.56 9.05 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.255 . . . . 0.0 112.365 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -69.46 -42.08 75.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.06 -43.83 90.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.29 -48.03 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.4 mt -71.0 -27.61 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.2 46.14 5.67 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.439 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.08 160.98 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -109.49 171.67 7.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -52.92 -30.82 36.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 t -64.13 -23.99 67.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.31 131.94 43.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 32' ' ' ALA . 59.6 p -106.3 170.7 7.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -40.51 -28.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -70.76 -61.43 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -55.74 -39.8 71.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.9 mt -60.14 -58.72 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -50.31 -41.76 51.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -71.04 -34.55 71.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.44 77.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 39' ' ' LYS . 12.0 t80 -58.39 -64.29 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 38' ' ' TYR . 1.5 mptm? -34.35 -54.78 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.41 -57.32 10.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mt -53.9 -46.1 71.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.22 86.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -70.13 -44.33 69.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -69.05 -57.65 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.591 ' CH2' ' NH1' ' A' ' 58' ' ' ARG . 80.7 m95 -79.79 10.75 3.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -51.98 107.29 0.8 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.57 0.7 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.588 ' CD ' ' CD1' ' A' ' 59' ' ' PHE . 53.9 Cg_endo -69.72 -28.95 24.82 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -57.63 -28.83 64.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.96 -29.51 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.465 ' ND2' ' HB3' ' A' ' 55' ' ' ALA . 4.9 t-20 -59.83 151.8 24.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -117.03 -31.19 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.13 134.6 95.87 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 110.852 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 110.84 2.67 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 138.04 -39.53 1.58 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.465 ' HB3' ' ND2' ' A' ' 50' ' ' ASN . . . -36.92 -46.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 111.097 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -50.87 -47.79 60.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -42.77 -51.45 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.591 ' NH1' ' CH2' ' A' ' 45' ' ' TRP . 13.7 tpp85 -64.89 -48.29 74.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.588 ' CD1' ' CD ' ' A' ' 47' ' ' PRO . 37.8 t80 -46.39 -46.6 18.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.5 mt -54.21 -50.85 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 64' ' ' LYS . 76.4 mt-30 -60.82 -59.27 5.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.9 mt -41.04 -43.39 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 t -74.68 -34.55 62.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLN . 56.8 mmtt -75.15 -17.02 60.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.69 -39.68 13.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.057 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.409 ' CZ ' ' HB2' ' A' ' 70' ' ' SER . 16.8 t80 -77.16 -42.43 37.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -45.77 -29.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 75' ' ' ARG . 82.8 mt -74.06 -48.38 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' SER . 11.2 mt -76.99 -58.02 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' LEU . 11.0 t -35.04 -50.88 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -78.45 123.36 26.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.401 ' CD ' ' HG3' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -58.39 -41.34 84.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' HG3' ' CD ' ' A' ' 72' ' ' GLU . 25.6 mt-10 -67.31 -56.55 9.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -53.72 -47.22 70.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' ILE . 33.2 ttp180 -52.45 -53.96 38.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.877 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.887 0.375 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.459 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 6.0 p90 -138.63 144.2 39.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -89.65 138.35 28.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -37.36 9.29 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.651 2.234 . . . . 0.0 112.357 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -69.97 -38.05 75.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.7 mmm-85 -69.58 -47.28 64.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.424 HG11 ' CB ' ' A' ' 65' ' ' ALA . 84.9 t -53.33 -57.21 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.07 -27.96 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.19 45.31 5.94 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.468 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.36 176.83 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.01 178.28 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -63.66 -30.21 71.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.9 p -72.53 -14.5 61.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.16 126.36 25.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' ALA . 1.5 t -107.39 157.81 17.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' SER . 4.7 mm-40 -34.15 -34.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -70.35 -57.66 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -42.72 82.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.3 mt -56.44 -57.82 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -50.03 -42.32 49.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -68.38 -39.57 81.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.63 -36.09 80.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.434 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 1.7 t80 -65.57 -60.49 2.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 22.6 mttt -44.85 -40.63 6.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -57.86 -64.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mt -52.31 -38.85 59.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.62 83.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -70.09 -44.99 67.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -70.63 -54.98 9.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.585 ' CH2' ' CZ ' ' A' ' 58' ' ' ARG . 84.8 m95 -80.91 12.84 2.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.459 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.9 t-80 -55.97 120.42 33.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.549 ' HD3' ' CD2' ' A' ' 59' ' ' PHE . 53.8 Cg_endo -69.74 -20.05 35.43 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.369 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.459 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 0.9 OUTLIER -70.57 -37.51 73.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -95.22 -30.06 14.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -71.37 125.76 27.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -99.26 -37.61 9.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.01 139.2 71.58 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 117.65 5.21 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.11 -40.98 1.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -37.18 -40.91 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.704 0.288 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 57' ' ' ASP . 32.4 tt0 -56.19 -54.84 40.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' GLU . 12.2 t70 -37.51 -57.9 0.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.585 ' CZ ' ' CH2' ' A' ' 45' ' ' TRP . 7.8 tpp85 -58.58 -47.84 82.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.549 ' CD2' ' HD3' ' A' ' 47' ' ' PRO . 10.7 t80 -48.67 -44.31 37.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.0 mt -54.44 -49.43 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -59.04 -47.87 83.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.9 mt -51.97 -51.23 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -63.1 -49.4 74.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -55.52 -41.77 73.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.424 ' CB ' HG11 ' A' ' 22' ' ' VAL . . . -59.33 -57.04 14.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.521 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 11.3 t80 -59.83 -45.69 91.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -39.48 -45.75 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 75' ' ' ARG . 52.2 mt -62.11 -47.37 93.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' SER . 11.4 mt -75.15 -65.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.521 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 3.1 t -37.97 -42.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -77.28 120.93 23.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.1 -40.63 81.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -63.8 -61.82 2.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -54.81 -47.68 73.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' ILE . 13.4 ttp180 -54.8 -57.48 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 56.2 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 -179.928 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.857 0.36 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 3.0 p90 -149.07 146.31 27.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 1.8 t70 -86.92 141.22 33.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 0.0 110.848 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 53.4 Cg_endo -69.79 -29.49 23.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -77.94 -39.06 43.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mmt85 -67.21 -46.19 74.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.831 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.03 -58.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.1 mt -62.83 -38.05 89.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.03 43.98 3.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.19 156.52 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.34 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 p -99.17 175.22 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -62.42 -29.17 70.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.6 p -82.78 -13.07 56.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.03 119.49 14.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' ASP . 2.7 m -101.49 170.78 7.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' SER . 0.9 OUTLIER -34.86 -57.45 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.56 -43.1 11.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' SER . 6.4 m-20 -71.84 -42.97 66.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 37' ' ' ALA . 58.0 mt -60.0 -61.1 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -39.91 -36.99 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -77.0 -37.11 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 34' ' ' ILE . . . -68.6 -32.92 73.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.401 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 2.6 t80 -73.88 -63.06 1.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 15.9 mttm -47.23 -43.09 21.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -58.13 -61.43 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 mt -55.16 -40.49 70.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.95 78.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -74.19 -44.25 54.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.09 -54.83 7.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.46 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 72.1 m95 -76.79 7.57 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.574 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.7 t-160 -54.66 131.27 64.72 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.589 0.709 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.574 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 54.2 Cg_endo -69.7 -20.88 34.54 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.735 2.29 . . . . 0.0 112.364 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.72 -46.27 89.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -90.67 -30.05 17.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.466 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 34.0 m-20 -74.27 118.06 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -97.04 -36.47 10.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.96 140.54 61.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.599 0.714 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 116.04 4.38 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.651 2.234 . . . . 0.0 112.311 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' GLU . . . 131.86 -44.44 1.2 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.52 -31.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.737 0.303 . . . . 0.0 111.103 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' GLY . 42.8 tt0 -65.09 -55.42 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -35.91 -59.3 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.46 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 11.2 tpt180 -54.03 -53.86 47.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -46.43 -49.75 17.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.7 mt -49.62 -45.58 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -66.44 -57.93 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.0 mt -41.3 -42.2 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -70.47 -41.74 72.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -62.57 -45.03 94.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.95 -46.95 75.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.514 ' CE1' ' HB3' ' A' ' 70' ' ' SER . 11.1 t80 -66.37 -49.14 67.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -38.82 -40.36 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.1 mt -68.31 -55.02 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.186 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' SER . 23.9 mt -69.64 -61.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.514 ' HB3' ' CE1' ' A' ' 66' ' ' TYR . 86.5 p -35.86 -38.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -80.68 144.6 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -79.86 -43.57 22.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.62 -53.27 57.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -59.22 -61.72 2.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -43.43 -54.46 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.0 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.891 0.377 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 2.6 p90 -137.57 143.22 41.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.7 144.09 27.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -46.87 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -59.8 -44.36 94.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -65.89 -45.39 82.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.6 t -55.71 -51.62 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.7 mt -71.67 -29.64 64.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.39 41.0 5.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -123.69 162.36 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 111.101 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -111.56 175.15 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.806 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.4 ptt-85 -50.74 -45.04 58.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 t -52.87 -29.06 25.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.45 130.25 42.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 32' ' ' ALA . 29.7 m -115.55 172.23 7.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 30' ' ' SER . 17.6 mm100 -36.5 -32.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -68.34 -65.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -56.28 -40.39 74.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.8 mt -59.35 -60.06 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -52.07 -46.49 65.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -67.2 -29.74 69.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.71 -41.91 61.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' LYS . 10.1 t80 -59.47 -60.94 3.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' TYR . 1.5 mptm? -36.63 -58.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -46.76 -55.24 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 mt -57.53 -46.29 84.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.33 78.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -72.11 -42.78 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -69.83 -57.43 5.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -83.03 16.38 2.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.566 ' CD2' ' HB3' ' A' ' 48' ' ' ASP . 7.2 t60 -54.59 126.22 55.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.561 0.696 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.558 ' HD3' ' CD1' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.74 -28.06 25.83 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.566 ' HB3' ' CD2' ' A' ' 46' ' ' HIS . 34.4 t70 -65.74 -34.49 78.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -93.66 -30.05 15.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.465 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 35.9 m-20 -80.11 110.49 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HE2' ' C ' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -88.48 -24.24 23.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.87 141.14 98.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.575 0.703 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 118.03 5.44 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.378 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.07 -45.5 1.14 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.26 -41.34 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.757 0.313 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -55.55 -55.02 36.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -40.88 -61.32 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.435 ' NH1' ' HB2' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -53.7 -47.75 70.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.558 ' CD1' ' HD3' ' A' ' 47' ' ' PRO . 31.9 t80 -50.82 -43.07 58.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.1 mt -56.88 -40.21 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -64.5 -44.63 90.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.3 mt -58.78 -47.22 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 t -66.69 -45.57 78.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -63.79 -33.77 76.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.61 -55.44 11.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 9.8 t80 -61.87 -43.26 99.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -39.76 -47.26 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.7 mt -57.43 -57.47 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 70' ' ' SER . 9.9 mt -65.67 -63.25 1.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.566 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 9.4 t -34.8 -42.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.465 ' CB ' ' HD3' ' A' ' 74' ' ' LYS . 4.6 m120 -79.49 131.65 36.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -59.49 -59.23 5.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -50.52 -65.66 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HD3' ' CB ' ' A' ' 71' ' ' ASN . 6.9 mptt -47.37 -54.65 10.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.9 ttp85 -42.44 -54.19 3.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 83.1 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 t70 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.83 0.347 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 3.8 p90 -141.64 144.2 34.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -92.76 142.08 25.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -42.71 3.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.638 2.226 . . . . 0.0 112.374 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -62.86 -40.06 96.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 12.0 mtp-105 -69.85 -46.34 65.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.7 t -61.11 -57.09 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.53 ' CD1' ' CD1' ' A' ' 69' ' ' LEU . 83.3 mt -62.43 -38.81 91.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.96 44.17 3.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -127.66 159.86 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 m -115.36 174.83 5.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -44.33 -52.59 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.1 p -45.68 -34.53 3.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.98 124.25 22.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 p -106.54 174.2 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -38.43 -42.99 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.2 -61.53 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.14 -46.82 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.0 mt -49.42 -54.62 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.203 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.431 ' CG ' ' HE3' ' A' ' 39' ' ' LYS . 11.9 ttpp -56.31 -45.04 80.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.3 mmmt -62.16 -36.66 82.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.64 -44.21 67.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 39' ' ' LYS . 18.6 t80 -57.1 -65.0 0.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 38' ' ' TYR . 2.3 mptm? -34.45 -62.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.4 ' HD2' ' C ' ' A' ' 40' ' ' LYS . 1.3 tmmt? -43.16 -52.98 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 mt -57.95 -39.07 77.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.02 84.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.1 -47.25 62.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.78 -50.58 62.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.555 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 90.2 m95 -88.44 11.95 15.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -51.99 110.56 1.93 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 -31.62 20.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.238 . . . . 0.0 112.378 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.38 -30.56 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -106.16 -27.88 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.47 ' ND2' ' HB1' ' A' ' 55' ' ' ALA . 5.0 t-20 -62.43 139.71 58.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -104.7 -27.32 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.35 133.63 95.72 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 104.41 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 143.27 -32.21 1.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HB1' ' ND2' ' A' ' 50' ' ' ASN . . . -37.12 -40.79 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.751 0.31 . . . . 0.0 111.077 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' ASP . 10.4 tt0 -53.33 -64.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' GLU . 21.5 t0 -36.85 -62.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.555 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 4.9 tpt180 -43.63 -52.77 6.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -57.26 -43.32 82.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 mm -47.41 -39.12 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.195 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -74.37 -47.16 35.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.1 mt -53.01 -46.71 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t -66.81 -45.33 78.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -59.04 -43.95 91.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.57 -52.51 64.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 70' ' ' SER . 12.9 t80 -61.07 -42.09 97.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -40.01 -47.29 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.8 -55.83 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.53 ' CD1' ' CD1' ' A' ' 23' ' ' LEU . 3.6 mt -63.75 -65.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 7.7 t -37.4 -39.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -75.13 125.28 28.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -61.34 -45.38 94.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.65 -61.1 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -51.26 -49.29 61.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.0 ttp85 -53.61 -61.94 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 36.4 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 t70 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.2 p90 -120.68 155.06 34.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -87.86 142.29 32.24 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.609 0.719 . . . . 0.0 110.854 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -43.13 2.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.32 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -62.15 -38.42 88.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -69.0 -44.47 72.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.5 t -66.9 -47.47 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.404 ' CD1' HD11 ' A' ' 69' ' ' LEU . 9.7 mt -74.48 -34.13 63.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.35 58.21 2.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.523 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.17 157.68 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.125 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 p -95.72 178.06 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 mtm-85 -66.78 -28.97 68.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.4 p -84.98 -10.14 57.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.07 112.56 9.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' ASP . 51.9 p -97.51 171.97 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 30' ' ' SER . 45.6 mm-40 -34.38 -57.34 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.18 -41.95 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' SER . 1.2 m-20 -75.21 -37.88 60.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 37' ' ' ALA . 30.4 mt -62.47 -60.24 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -37.4 -52.93 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -59.7 -38.08 80.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' ILE . . . -67.14 -42.69 83.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -65.21 -55.74 16.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -54.15 -52.31 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.9 tttp -49.9 -42.77 48.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mt -71.37 -46.08 61.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.945 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.31 -34.86 71.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -71.59 -40.69 69.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -70.17 -58.76 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.56 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 83.5 m95 -80.19 11.69 3.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.403 ' ND1' ' HD2' ' A' ' 47' ' ' PRO . 0.5 OUTLIER -53.09 115.26 7.16 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.574 0.702 . . . . 0.0 110.853 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.9 Cg_endo -69.74 -17.13 37.81 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.2 -39.47 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -96.82 -29.83 13.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -73.9 134.18 43.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -104.99 -32.58 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.78 142.22 44.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 0.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 117.85 5.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 127.13 -36.08 2.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' GLY . . . -37.07 -39.27 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 0.0 111.089 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ASP . 22.3 tt0 -61.1 -64.36 0.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' GLU . 3.2 t0 -37.55 -60.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.56 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 9.1 tpt85 -51.26 -46.37 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -60.62 -33.55 72.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mm -57.42 -41.49 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' LYS . 27.4 mt-30 -70.78 -60.22 2.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.2 mt -38.47 -40.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -73.83 -39.57 63.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 61' ' ' GLN . 25.4 mtmm -70.91 -15.81 62.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.92 -27.73 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.542 ' CE2' ' HB2' ' A' ' 70' ' ' SER . 10.0 t80 -85.34 -46.49 10.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' CD ' ' HA ' ' A' ' 64' ' ' LYS . 13.3 pt-20 -40.49 -33.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 40.8 mt -72.82 -50.64 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 70' ' ' SER . 15.8 mt -76.38 -59.04 2.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.946 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.542 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 32.3 t -34.56 -51.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -70.68 132.77 45.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -65.57 -39.39 91.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.54 -68.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -46.29 -44.93 16.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -56.96 -58.01 10.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 60.3 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 -179.907 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -42.23 -55.21 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.1 p -166.47 162.21 16.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.71 104.29 0.18 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.441 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -166.92 155.57 10.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -147.37 152.2 37.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.01 47.71 0.47 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.534 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.6 tp -63.67 110.99 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.3 mt -153.21 119.1 5.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -77.82 166.47 22.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -152.99 164.99 36.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.84 119.82 5.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.8 m -89.54 152.34 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.96 -37.29 16.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' ASP . 1.2 pt? -124.44 171.89 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' LEU . 65.9 m-20 -35.0 -51.7 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 2.5 p90 -151.22 143.03 23.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.62 142.98 33.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.845 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.468 ' CZ ' HD22 ' A' ' 69' ' ' LEU . 58.9 m-85 -55.84 -42.79 76.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.1 mmt-85 -64.93 -39.9 94.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.0 -57.86 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.85 -33.61 74.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.34 42.08 3.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -133.52 169.11 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.318 . . . . 0.0 111.182 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -115.87 176.19 5.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -53.0 -37.4 61.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.4 m -58.11 -24.72 59.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.69 128.31 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' ALA . 3.5 m -106.79 169.06 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' SER . 12.0 mm-40 -35.61 -33.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -68.61 -61.11 1.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -56.68 -46.06 81.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 35.1 mt -61.56 -49.8 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 2.0 tmmm? -54.0 -61.06 2.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.488 ' N ' ' HD2' ' A' ' 35' ' ' LYS . 49.4 tttt -52.47 -42.5 64.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.72 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.404 ' CG ' ' CD2' ' A' ' 66' ' ' TYR . 2.9 t80 -66.92 -63.42 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -53.32 -42.94 67.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -58.78 -42.87 90.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.453 HD22 ' CD1' ' A' ' 45' ' ' TRP . 7.2 mt -72.87 -38.7 66.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.75 -37.33 82.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.5 mtp85 -74.74 -44.51 49.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -69.94 -53.21 18.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.453 ' CD1' HD22 ' A' ' 41' ' ' LEU . 79.2 m95 -84.05 14.46 4.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.568 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.8 t-80 -58.68 137.01 86.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.568 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 53.7 Cg_endo -69.7 -16.87 38.0 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.25 -43.47 92.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.62 -30.03 13.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.431 ' ND2' ' HB2' ' A' ' 55' ' ' ALA . 38.9 m-20 -72.39 124.46 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -111.07 -30.75 7.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.13 144.21 50.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 116.94 4.79 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.0 -36.86 2.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.431 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . . . -40.75 -56.54 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.777 0.322 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 57' ' ' ASP . 5.0 mp0 -42.21 -60.34 1.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' GLU . 8.2 t70 -36.16 -59.15 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -50.17 -54.53 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -51.8 -56.99 10.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.1 mt -44.72 -41.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -73.08 -55.57 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.4 mt -42.25 -45.14 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 t -64.87 -41.24 95.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -63.73 -46.71 84.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.1 -48.66 61.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.543 ' CD1' ' HB2' ' A' ' 70' ' ' SER . 11.0 t80 -69.76 -44.02 71.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -39.38 -41.46 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.6 mt -67.63 -64.26 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.468 HD22 ' CZ ' ' A' ' 20' ' ' TYR . 14.0 mt -60.17 -60.94 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.543 ' HB2' ' CD1' ' A' ' 66' ' ' TYR . 8.6 t -34.57 -50.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -71.76 132.63 44.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -65.45 -51.1 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -57.98 -50.32 73.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -60.83 -48.74 80.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.8 ttp85 -55.08 -58.5 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' ASN . 87.8 m -48.54 -56.5 8.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 76' ' ' THR . 68.3 m-20 -38.0 -58.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -47.13 -55.13 8.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -50.5 -51.99 42.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -48.6 -45.37 38.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -70.7 -21.49 62.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.38 38.15 68.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.1 t 57.24 42.65 24.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.884 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -122.72 -170.56 13.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.446 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 131.27 20.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.1 t -66.73 143.16 57.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.3 m -48.42 -51.34 27.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.9 p -140.88 146.46 37.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.85 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -142.49 151.52 41.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.97 46.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -142.97 139.12 30.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 m -114.5 139.53 49.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.29 116.33 4.12 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' A' ' 8' ' ' ILE . 50.0 mm -90.52 -1.65 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.868 0.366 . . . . 0.0 111.089 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.533 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -117.7 172.42 7.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -146.91 105.64 3.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.5 m -91.43 111.94 23.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 pp -163.32 164.79 24.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.2 p -129.79 168.29 16.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -160.15 174.11 14.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -83.87 177.91 8.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -45.72 -62.18 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 3.4 p90 -143.33 148.18 35.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.431 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 1.5 t70 -101.36 141.23 22.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 54.3 Cg_endo -69.7 -35.17 13.32 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -73.3 -41.73 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.8 mtt-85 -68.55 -40.56 80.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.77 -58.19 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.4 mt -62.33 -34.0 75.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.47 48.69 3.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -130.79 159.61 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -109.21 174.1 6.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -50.53 -37.42 39.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 t -57.85 -26.26 61.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.12 134.41 46.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 32' ' ' ALA . 9.3 m -119.06 174.21 6.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -38.15 -30.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -72.31 -61.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -57.69 -37.35 73.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.9 mt -63.71 -54.78 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -57.9 -34.49 69.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -75.75 -41.45 53.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.59 86.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.561 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 1.6 t80 -58.78 -67.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.944 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 53.2 mttt -38.19 -59.33 0.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 40' ' ' LYS . 8.2 mptt -45.28 -60.29 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 mt -47.07 -53.24 13.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.47 -35.75 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -67.45 -41.19 85.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.96 -55.93 5.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -77.44 8.41 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.565 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.8 t-80 -53.73 132.52 56.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.539 0.685 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.565 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 53.5 Cg_endo -69.77 -32.71 18.0 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.679 2.253 . . . . 0.0 112.369 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -53.94 -42.13 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -89.19 -29.89 18.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.469 ' ND2' ' HB1' ' A' ' 55' ' ' ALA . 32.4 m-20 -81.09 132.02 35.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -111.4 -36.94 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -53.75 144.31 35.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 116.14 4.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 129.48 -43.8 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.469 ' HB1' ' ND2' ' A' ' 50' ' ' ASN . . . -37.07 -46.59 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -55.61 -48.69 74.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -44.25 -61.3 1.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -51.27 -55.36 18.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -42.8 -43.8 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.6 mt -58.6 -46.72 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -58.1 -45.34 87.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 41.0 mt -52.03 -54.44 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.177 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 t -59.31 -51.32 70.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -54.85 -39.25 68.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.91 92.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 70' ' ' SER . 13.9 t80 -66.18 -42.84 88.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -39.28 -51.26 2.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.9 mt -49.45 -54.06 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 71' ' ' ASN . 4.8 mt -72.05 -62.77 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 66' ' ' TYR . 46.0 p -41.84 -25.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.816 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' LEU . 19.2 t-20 -90.07 131.59 35.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -62.98 -55.55 24.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -51.13 -67.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -45.89 -60.0 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -52.75 -36.46 57.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.3 m -67.46 -46.91 71.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -58.36 -48.9 79.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.71 -54.11 42.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -61.27 -53.93 50.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.11 -39.06 63.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -68.5 -14.57 63.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.31 38.49 81.37 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.3 m 57.32 37.75 28.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.88 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.31 146.67 47.93 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.59 3.39 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t 67.54 43.07 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.1 p -96.29 -24.08 16.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 3' ' ' SER . 22.4 t 56.0 42.72 28.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.892 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 2' ' ' SER . 32.3 t -37.43 -45.14 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.2 -155.55 0.6 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 p -167.72 157.89 10.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.882 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -154.25 155.32 35.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.58 38.26 1.81 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.414 HD11 ' C ' ' A' ' 8' ' ' ILE . 2.6 pp -84.06 175.54 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 111.137 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.467 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -138.82 151.76 47.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' SER . 3.5 pm0 -114.45 -30.74 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' GLN . 58.2 m -35.35 -46.31 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.1 tp -113.56 135.53 53.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.3 m -139.9 113.98 8.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.25 -30.71 62.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 17' ' ' PHE . 1.1 pt? -158.36 169.72 23.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -41.49 -61.54 1.04 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.443 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 7.5 p90 -137.09 158.32 44.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.81 141.66 24.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.639 0.733 . . . . 0.0 110.833 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.83 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.525 ' CE1' HD23 ' A' ' 69' ' ' LEU . 68.2 m-85 -56.96 -36.41 70.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -71.42 -40.41 70.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.1 t -63.1 -57.26 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.3 mt -58.95 -33.9 71.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.58 35.55 4.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -122.87 163.43 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 111.136 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -115.2 168.52 9.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -40.87 -55.02 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.409 HG21 ' N ' ' A' ' 29' ' ' ALA . 13.6 t -43.83 -35.85 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.409 ' N ' HG21 ' A' ' 28' ' ' THR . . . -62.58 128.87 38.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' GLN . 4.0 t -109.71 174.05 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 30' ' ' SER . 12.6 mm-40 -36.32 -63.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.44 -60.93 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.436 ' C ' ' OD1' ' A' ' 33' ' ' ASP . 3.5 t0 -52.7 -46.92 67.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.465 HG22 ' CE1' ' A' ' 66' ' ' TYR . 55.7 mt -51.69 -65.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -40.87 -49.38 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -62.95 -37.81 88.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.6 82.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.543 ' CG ' ' CD2' ' A' ' 66' ' ' TYR . 17.6 t80 -60.52 -67.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -36.58 -59.28 0.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -44.4 -52.0 8.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mt -65.64 -35.34 80.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.31 71.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -77.5 -43.81 30.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.27 -53.62 13.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -83.17 12.78 4.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.423 ' ND1' ' HB2' ' A' ' 48' ' ' ASP . 1.7 t-160 -56.28 125.75 66.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.85 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.404 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 54.2 Cg_endo -69.72 -26.28 27.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.423 ' HB2' ' ND1' ' A' ' 46' ' ' HIS . 4.3 m-20 -62.08 -36.59 82.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -96.6 -29.99 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 31.0 m-20 -74.4 118.68 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -99.17 -34.68 10.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -56.21 141.53 69.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.627 0.727 . . . . 0.0 110.834 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.02 5.43 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.06 -40.25 1.67 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -43.31 -42.41 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.724 0.297 . . . . 0.0 111.084 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -57.64 -55.22 37.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -42.4 -58.55 2.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -57.12 -47.66 80.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -47.29 -48.54 24.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.8 mt -51.79 -48.43 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.41 ' OE1' ' CE2' ' A' ' 17' ' ' PHE . 12.2 mm100 -58.66 -48.59 80.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.6 mt -54.41 -53.75 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 t -62.23 -47.14 85.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -61.73 -29.5 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.14 -51.0 23.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.543 ' CD2' ' CG ' ' A' ' 38' ' ' TYR . 9.4 t80 -67.39 -44.25 79.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -38.52 -45.33 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 75.6 mt -55.35 -66.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.525 HD23 ' CE1' ' A' ' 20' ' ' TYR . 33.5 mt -56.53 -54.69 42.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 69' ' ' LEU . 22.2 t -34.25 -49.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 73' ' ' GLU . 20.5 t-20 -72.35 123.59 23.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 7.6 pt-20 -56.82 -37.19 70.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.469 ' N ' ' OD1' ' A' ' 71' ' ' ASN . 2.8 tt0 -71.19 -67.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -45.23 -43.36 10.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.9 ttt-85 -57.91 -62.74 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 31.9 m -50.8 -48.47 59.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -43.69 -57.39 3.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -47.16 -64.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -48.7 -48.19 40.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -56.04 -31.03 62.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -73.4 -21.24 60.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.93 37.67 74.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.8 m 58.66 42.88 19.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.884 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -103.07 154.19 18.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 123.68 10.34 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.9 t -64.21 -49.81 70.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.3 p -83.13 147.61 27.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m 58.31 42.89 20.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -92.82 -45.61 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.798 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.59 171.39 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -129.92 139.59 51.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -86.47 174.29 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.24 133.47 1.72 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.3 mm -98.72 134.17 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -111.16 125.6 53.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -97.65 142.9 28.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.6 p -149.85 124.97 10.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.807 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mp -102.71 126.7 49.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.2 m -70.09 142.62 52.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.73 -35.34 15.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 16' ' ' ASP . 1.3 pt? -115.64 175.01 5.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' LEU . 16.5 t70 -36.19 -50.6 0.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.9 p90 -157.32 158.23 35.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.58 143.37 26.41 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.642 0.734 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -38.27 8.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.352 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.505 ' CE1' HD22 ' A' ' 69' ' ' LEU . 32.4 m-85 -69.9 -41.78 74.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -64.94 -45.82 84.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.63 -58.88 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.139 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.6 mt -56.57 -36.75 69.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.19 38.61 3.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -125.37 165.78 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -115.07 173.46 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -21.08 49.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.4 p -72.88 -14.74 61.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.88 132.81 34.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' GLN . 35.1 m -97.96 162.63 13.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' SER . 15.5 tp60 -35.68 -49.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.66 -66.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -43.15 -40.68 3.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.5 mt -56.16 -56.67 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -41.21 -60.44 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -51.11 -37.69 47.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.78 85.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.451 ' CG ' ' CD2' ' A' ' 66' ' ' TYR . 3.9 t80 -62.46 -52.64 62.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -39.71 -60.45 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -46.1 -65.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.2 mt -48.69 -38.58 21.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.42 -33.15 73.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.071 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -76.43 -45.32 31.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -71.59 -54.53 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.481 ' CE3' ' HB3' ' A' ' 58' ' ' ARG . 84.4 m95 -80.5 12.83 2.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.501 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.2 t-80 -54.42 115.79 9.31 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.594 0.712 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.557 ' HD3' ' CD2' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.79 -25.16 28.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.501 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 3.9 m-20 -65.25 -32.15 73.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -100.97 -30.11 11.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.462 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 25.6 m-20 -77.53 115.89 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.04 -33.2 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -55.95 142.06 65.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.566 0.698 . . . . 0.0 110.904 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 118.18 5.53 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.83 -43.89 1.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -44.64 -40.96 6.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.728 0.299 . . . . 0.0 111.056 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ASP . 13.4 tt0 -60.88 -55.67 30.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' GLU . 2.2 t70 -36.19 -62.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.481 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 10.6 tpt180 -52.61 -55.31 23.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.557 ' CD2' ' HD3' ' A' ' 47' ' ' PRO . 7.0 t80 -44.04 -54.68 5.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 54.8 mt -45.08 -45.48 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.68 -45.94 84.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 35.5 mt -55.71 -61.11 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 t -49.69 -46.49 50.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -64.03 -37.7 88.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.24 -53.08 54.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.512 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 15.7 t80 -66.62 -47.69 71.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -38.66 -51.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.1 mt -52.72 -53.77 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.505 HD22 ' CE1' ' A' ' 20' ' ' TYR . 24.1 mt -65.09 -61.89 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.512 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 10.5 t -38.42 -47.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.461 ' CB ' ' HD3' ' A' ' 74' ' ' LYS . 8.1 m-80 -76.46 116.31 17.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -55.5 -40.59 71.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -59.02 -60.15 4.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.461 ' HD3' ' CB ' ' A' ' 71' ' ' ASN . 0.2 OUTLIER -57.4 -54.85 42.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -44.45 -53.14 7.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 79.3 m -61.96 -62.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.0 -48.08 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.4 t80 -61.61 -47.3 86.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -60.36 -61.77 2.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -56.32 -45.59 80.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -72.78 -21.63 60.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' TYR . . . 83.55 -19.43 14.8 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 97.4 p -154.14 150.24 27.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.963 0.411 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -89.08 158.54 28.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 135.89 31.46 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.328 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.2 t -63.07 148.7 47.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.0 m -70.82 107.37 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -96.33 132.51 41.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.891 0.377 . . . . 0.0 110.841 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -101.04 119.32 38.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.58 52.3 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -93.76 121.5 35.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.926 0.393 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.4 p -150.71 163.19 39.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.88 123.32 0.67 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.442 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.2 mt -103.92 126.1 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 111.099 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.425 ' N ' HD21 ' A' ' 9' ' ' LEU . 3.7 mm? -120.09 150.52 40.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -63.98 141.14 58.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.9 p -86.98 -45.86 10.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.449 HD11 ' N ' ' A' ' 12' ' ' LEU . 9.4 mp -95.17 -58.97 2.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 t -40.95 -57.76 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 163.8 6.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -82.47 178.2 8.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -90.31 -10.27 44.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 1.5 p90 -157.83 138.24 12.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -93.58 142.84 25.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.619 0.723 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -45.51 1.52 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.349 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.512 ' CD1' HD11 ' A' ' 69' ' ' LEU . 6.4 m-85 -61.67 -37.12 82.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -70.57 -43.44 69.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.4 t -59.48 -56.13 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.3 mt -63.61 -33.19 75.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.27 47.05 3.92 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 m -131.32 165.54 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.86 178.08 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -57.12 -31.27 65.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 t -65.56 -22.14 66.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.48 130.32 42.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' GLN . 50.1 p -113.0 172.45 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 30' ' ' SER . 17.3 mm-40 -36.94 -40.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.15 -63.9 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -51.44 -45.28 62.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.8 mt -59.92 -65.9 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -47.81 -38.87 16.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -69.53 -40.58 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.23 -38.78 82.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -60.77 -60.44 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -47.95 -59.0 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -48.16 -46.36 34.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mt -62.94 -41.76 99.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.08 92.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -66.84 -43.75 82.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.49 -54.21 11.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -82.54 17.21 1.84 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -61.79 132.51 93.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.81 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -29.39 24.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.728 2.285 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.45 -36.18 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -95.61 -30.17 13.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -77.82 131.76 37.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -101.27 -32.64 10.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.66 131.93 71.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.562 0.696 . . . . 0.0 110.903 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 117.74 5.26 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.752 2.301 . . . . 0.0 112.36 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 129.42 -38.91 1.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' GLY . . . -37.05 -39.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -52.73 -49.6 65.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.89 -57.87 3.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -57.58 -48.49 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -47.57 -44.97 26.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.0 mt -60.18 -48.12 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -61.31 -46.93 88.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.6 mt -49.61 -47.37 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -69.61 -45.42 68.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.425 ' HA ' ' CD ' ' A' ' 67' ' ' GLU . 53.2 mmtt -63.12 -22.92 67.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.64 -34.39 27.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 70' ' ' SER . 17.6 t80 -78.63 -49.69 12.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.425 ' CD ' ' HA ' ' A' ' 64' ' ' LYS . 13.9 pt-20 -42.76 -36.5 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.44 -57.46 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.512 HD11 ' CD1' ' A' ' 20' ' ' TYR . 24.0 mt -65.66 -57.92 6.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.545 ' HB3' ' CE1' ' A' ' 66' ' ' TYR . 60.7 p -34.56 -49.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -79.72 131.18 35.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -59.07 -54.14 50.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -49.51 -67.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -49.97 -49.92 48.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.4 ttp85 -48.38 -59.0 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 94.4 m -58.81 -45.87 88.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -48.39 -39.16 21.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -62.71 -41.89 99.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.17 -46.52 56.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -55.31 -31.05 61.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -69.7 -21.97 63.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.95 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 83' ' ' SER . . . 111.47 39.16 1.37 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 82' ' ' GLY . 26.4 p -35.02 -43.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.373 . . . . 0.0 110.856 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -104.89 169.33 16.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.31 20.99 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.3 m -160.71 165.47 30.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.4 m -87.16 -61.95 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.481 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -76.12 -47.52 24.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 m -83.1 165.03 19.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.13 139.53 3.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 m -124.0 156.97 35.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 110.855 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -127.24 138.74 53.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.66 157.93 17.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.0 tt -55.89 155.95 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.865 0.364 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.7 mt -131.85 150.0 52.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -111.79 132.17 54.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -125.4 145.01 50.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mp -77.43 -58.2 3.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.4 p -110.82 157.22 20.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.24 172.33 18.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -114.02 177.78 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -42.01 -58.44 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.6 p90 -149.18 147.35 28.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 3.8 t70 -93.53 141.16 23.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.592 0.711 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 54.0 Cg_endo -69.77 -41.86 3.9 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.332 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.419 ' CZ ' HD21 ' A' ' 69' ' ' LEU . 82.3 m-85 -69.44 -42.62 74.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -63.66 -47.65 80.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.2 t -59.59 -64.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.6 mt -53.38 -34.3 57.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.64 46.32 3.22 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -131.05 177.33 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -113.52 178.14 4.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.9 mmm-85 -63.84 -26.96 68.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 t -76.64 -8.84 58.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.33 123.46 17.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 32' ' ' ALA . 3.6 m -100.35 157.27 16.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 30' ' ' SER . 51.1 mm-40 -34.36 -33.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -70.53 -59.44 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.063 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.61 -43.57 80.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.4 mt -62.32 -54.8 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -51.88 -44.11 63.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -66.0 -37.23 85.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.69 -29.58 63.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -73.9 -65.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 43' ' ' ARG . 22.3 mttm -43.41 -44.45 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -59.64 4.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.6 mt -59.0 -57.9 11.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.5 -38.39 20.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 39' ' ' LYS . 79.7 mtt180 -65.55 -45.18 84.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -68.7 -54.92 13.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.519 ' CD1' HD13 ' A' ' 62' ' ' ILE . 79.7 m95 -78.9 8.22 5.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.495 ' CE1' ' HB3' ' A' ' 48' ' ' ASP . 4.5 t-80 -54.23 125.2 49.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.605 0.716 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.421 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.9 Cg_endo -69.77 -1.04 7.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.495 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -77.88 -37.74 47.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -101.35 -29.94 11.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.453 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 30.3 m-20 -69.26 121.05 16.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -101.64 -33.16 10.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.24 141.68 76.85 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.0 5.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.356 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.14 -39.44 1.85 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.03 -36.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 111.091 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ASP . 24.3 tt0 -58.29 -63.73 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' GLU . 3.2 m-20 -36.75 -60.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -45.54 53.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -63.22 -32.86 74.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.6 mm -58.03 -37.76 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -77.37 -47.29 20.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.519 HD13 ' CD1' ' A' ' 45' ' ' TRP . 50.1 mt -54.69 -45.79 73.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 t -69.84 -44.86 69.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -61.67 -35.92 79.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.34 82.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.432 ' CE2' ' OG ' ' A' ' 70' ' ' SER . 16.8 t80 -67.38 -44.78 78.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -38.41 -40.07 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 34.1 mt -68.53 -58.27 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 70' ' ' SER . 32.0 mt -64.96 -60.82 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 69' ' ' LEU . 4.6 t -34.55 -48.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -84.14 130.81 34.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -64.19 -48.19 76.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -51.73 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -55.78 -51.78 66.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -47.24 -61.48 1.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 82.1 m -60.74 -56.93 15.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -41.36 -43.09 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.482 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.4 OUTLIER -60.4 -51.98 67.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -58.1 -31.62 67.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -57.6 -55.6 32.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -78.6 -21.99 47.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.47 -18.69 8.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t -97.89 -67.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.937 0.398 . . . . 0.0 110.902 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 173.8 -157.87 26.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 150.76 68.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.2 m -101.56 158.75 15.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 t -88.2 -49.21 7.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.481 -179.998 . . . . . . . . 0 0 . 1 . 007 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 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.1 p -152.75 128.03 9.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.897 0.38 . . . . 0.0 110.823 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -131.15 125.2 32.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.67 120.12 5.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.441 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -167.1 170.75 11.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 p 53.06 39.56 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.78 167.2 38.46 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 9' ' ' LEU . 28.5 mt -132.06 138.22 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 111.133 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 11' ' ' SER . 4.4 pp -53.84 146.14 14.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -50.98 -61.62 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.467 ' N ' HD12 ' A' ' 9' ' ' LEU . 5.4 t -167.08 164.23 15.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.9 tp -149.62 121.55 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.8 m -149.28 137.51 20.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.34 -41.34 8.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -87.67 170.74 11.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -38.52 -61.19 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.7 p90 -144.09 148.09 34.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.32 144.06 27.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.719 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -43.66 2.53 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.325 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.545 ' CE2' HD22 ' A' ' 69' ' ' LEU . 62.3 m-85 -62.54 -37.45 86.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -68.44 -43.81 76.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.0 t -61.46 -53.89 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.6 mt -65.77 -34.47 78.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.54 44.98 3.56 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -136.25 165.39 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.108 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -111.73 174.25 5.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -51.95 -33.86 39.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.438 ' N ' ' HG2' ' A' ' 27' ' ' ARG . 24.1 p -59.64 -24.74 64.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.86 127.78 33.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' ALA . 8.0 m -107.35 169.86 8.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' SER . 2.1 tp60 -34.67 -33.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -68.38 -59.64 3.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -60.03 -44.42 94.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.7 mt -61.38 -49.37 84.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -56.09 -55.95 26.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -59.31 -39.46 83.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.99 -39.11 90.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -62.65 -58.98 5.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -59.55 2.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -42.33 -51.92 4.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mt -60.39 -56.99 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.49 -41.26 29.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.5 mtt85 -62.72 -45.14 94.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -68.73 -57.78 5.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.495 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 82.9 m95 -77.51 8.52 4.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.42 ' ND1' ' HD2' ' A' ' 47' ' ' PRO . 1.3 t-80 -51.97 115.84 7.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.5 ' HD3' ' CG ' ' A' ' 59' ' ' PHE . 53.4 Cg_endo -69.72 -8.2 23.0 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.742 2.295 . . . . 0.0 112.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -77.6 -37.29 50.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -99.27 -27.19 13.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' A' ' 55' ' ' ALA . 33.7 m-20 -73.47 132.27 42.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.38 -35.44 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -53.13 137.28 48.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 112.42 3.07 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.71 -40.24 1.64 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HB3' ' ND2' ' A' ' 50' ' ' ASN . . . -40.05 -44.66 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -55.77 -45.18 78.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -49.63 -49.94 45.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.495 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 20.4 tpt85 -62.91 -44.59 95.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.5 ' CG ' ' HD3' ' A' ' 47' ' ' PRO . 46.1 t80 -53.66 -42.94 68.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.3 mt -56.63 -44.48 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.163 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -62.39 -51.71 66.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.433 HD11 ' CD1' ' A' ' 45' ' ' TRP . 20.0 mt -50.81 -51.72 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -58.97 -46.06 89.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -60.04 -40.67 90.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.23 -51.65 69.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 70' ' ' SER . 12.2 t80 -66.09 -44.37 84.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -38.55 -47.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.29 -62.26 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.545 HD22 ' CE2' ' A' ' 20' ' ' TYR . 11.8 mt -61.24 -63.74 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 19.7 t -37.05 -49.42 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -76.98 128.03 33.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -61.86 -47.48 84.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -52.42 -61.45 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -56.08 -54.02 50.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -46.78 -57.4 4.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.562 HG22 ' CD2' ' A' ' 80' ' ' HIS . 26.4 m -57.18 -44.48 83.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -52.37 -42.42 63.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -48.44 -61.49 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.94 -43.64 98.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.562 ' CD2' HG22 ' A' ' 76' ' ' THR . 5.0 m-70 -55.08 -29.2 57.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -71.08 -21.97 62.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.45 38.83 13.5 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 t -91.13 134.82 34.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.855 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.59 -165.76 18.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.54 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -47.27 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.679 2.252 . . . . 0.0 112.34 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.2 p -65.24 134.86 54.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.5 m -81.54 -62.36 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -79.77 -52.82 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.853 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -133.83 168.54 18.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.69 155.47 24.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -99.98 175.35 5.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -144.89 144.92 31.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.93 38.77 97.13 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.456 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.452 HD11 ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -74.45 3.35 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 111.173 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 mp -79.9 135.33 36.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -92.67 146.53 23.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.4 p -116.76 151.77 35.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.9 mt -80.11 -59.1 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.0 m -124.04 145.53 49.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.79 153.31 35.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.436 ' CD1' ' O ' ' A' ' 17' ' ' PHE . 2.2 pt? -80.06 175.89 10.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -49.77 -52.15 33.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 5.0 p90 -151.29 150.18 30.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -94.65 144.01 27.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -46.88 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.549 ' CE2' HD23 ' A' ' 69' ' ' LEU . 86.3 m-85 -61.35 -41.74 97.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -65.46 -43.94 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.2 t -58.09 -56.02 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.3 mt -65.47 -28.65 69.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.28 39.65 5.97 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -129.98 175.23 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 111.092 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -114.98 173.53 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.2 ptt-85 -56.32 -30.05 62.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.1 p -66.96 -20.78 65.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.64 129.55 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 32' ' ' ALA . 21.9 t -106.4 165.73 11.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' SER . 57.4 mm-40 -35.6 -34.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -67.42 -61.92 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -55.41 -42.79 74.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.49 HG21 ' CD1' ' A' ' 66' ' ' TYR . 33.2 mt -64.55 -55.24 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -55.81 -27.37 50.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -85.71 -36.13 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.26 -23.85 60.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.096 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.546 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 1.8 t80 -75.55 -66.96 0.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.546 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 18.4 mttt -45.55 -45.05 13.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.51 -57.5 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mt -61.36 -58.8 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.27 -28.38 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -79.07 -38.66 35.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -74.15 -53.71 9.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -80.56 10.48 4.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.555 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.8 t-80 -59.43 135.16 88.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.555 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 53.8 Cg_endo -69.77 -34.82 13.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.284 . . . . 0.0 112.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.44 -34.53 66.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -100.07 -30.11 12.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -80.06 107.91 13.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -38.09 65.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -53.7 132.83 55.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.733 . . . . 0.0 110.854 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 118.47 5.7 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.12 -33.15 3.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -37.52 -36.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.723 0.297 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.55 -50.79 70.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -38.61 -56.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -56.5 -52.93 62.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -45.21 -43.43 10.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.3 mt -57.14 -51.32 70.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -59.53 -49.29 78.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 32.2 mt -53.83 -48.08 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 t -67.12 -45.71 76.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -58.57 -37.76 76.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.85 -47.86 79.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 9.3 t80 -65.81 -45.75 81.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -42.09 -32.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.7 mt -70.93 -64.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.549 HD23 ' CE2' ' A' ' 20' ' ' TYR . 53.3 mt -59.9 -53.86 52.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.548 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 23.0 t -34.86 -52.33 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -81.75 138.27 35.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -63.07 -59.92 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -47.22 -53.59 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -60.57 -36.78 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -66.68 -41.09 88.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.5 m -75.83 -64.36 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 78' ' ' TYR . 1.3 p-10 -42.39 -39.23 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.467 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 4.7 t80 -57.22 -59.7 4.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.52 -46.92 87.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -56.98 -29.04 62.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -71.23 -21.81 62.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.34 30.23 41.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.2 m -89.79 142.68 27.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.929 0.395 . . . . 0.0 110.869 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 101.55 174.64 28.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -19.62 35.96 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.6 t -57.35 123.68 16.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.815 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.5 t 58.5 43.44 19.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.501 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -92.19 172.36 8.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.5 p -76.54 -39.44 52.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.61 145.49 7.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 p -55.32 153.16 7.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.819 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 m -140.16 126.42 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.57 60.91 7.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.6 pt -96.93 151.05 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mp -109.15 154.17 22.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -130.06 111.49 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -119.87 122.48 41.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 12' ' ' LEU . 2.1 pt? -160.36 157.71 28.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m -72.93 169.84 16.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -117.91 124.51 48.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' ASP . 1.0 OUTLIER -164.08 172.35 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' LEU . 7.9 t70 -37.51 -55.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.0 p90 -157.03 143.91 18.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.434 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 3.6 m-20 -94.9 143.37 26.03 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.606 0.717 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -48.32 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -62.2 -41.53 98.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -63.86 -40.49 96.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 18' ' ' ASP . 88.8 t -65.07 -53.06 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.72 -15.45 63.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.04 44.45 54.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.497 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.42 168.7 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 111.144 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -116.96 178.07 4.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -20.47 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.0 p -74.54 -16.62 60.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.97 126.83 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' GLN . 89.5 p -104.01 166.07 10.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.466 ' NE2' ' HA ' ' A' ' 70' ' ' SER . 32.1 tp60 -37.03 -34.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.16 -58.5 4.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -59.85 -40.9 90.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.4 mt -56.06 -48.63 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.114 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.3 tttt -57.42 -43.91 84.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -66.97 -31.98 72.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.99 -43.65 74.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.076 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -57.89 -62.32 1.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -38.05 -67.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -41.78 -57.77 2.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.8 mt -54.23 -37.28 64.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.08 -35.6 71.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -73.45 -42.24 62.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -74.0 -53.77 9.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -81.42 15.61 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.543 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.8 t-80 -61.02 134.88 93.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.562 0.696 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.543 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 54.0 Cg_endo -69.71 -32.99 17.7 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.47 -34.16 70.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -95.66 -30.04 13.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 34.2 m-20 -79.87 119.52 22.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -97.91 -25.12 15.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.1 141.7 98.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.634 0.73 . . . . 0.0 110.871 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 116.51 4.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 57' ' ' ASP . . . 129.52 -41.57 1.53 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -36.98 -39.31 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -62.17 -45.91 91.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' GLY . 31.2 t0 -48.06 -53.21 17.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.1 tpp85 -64.93 -47.41 77.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -45.92 -35.8 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.1 mt -69.95 -47.3 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -58.82 -38.35 78.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.5 mt -61.01 -47.5 93.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 t -68.2 -43.14 78.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -60.36 -37.15 79.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.46 -57.73 8.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -56.65 -43.34 80.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -38.42 -51.08 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.7 mt -53.08 -51.0 42.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 70' ' ' SER . 7.8 mt -72.82 -64.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.466 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 8.7 t -34.33 -52.41 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -70.71 107.02 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -40.14 -60.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -46.29 -65.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -44.41 -49.57 9.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.946 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.3 ttp85 -57.09 -61.93 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 63.3 m -50.32 -40.1 47.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.418 ' O ' ' CD2' ' A' ' 81' ' ' TYR . 74.3 m-20 -55.07 -49.86 70.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.42 ' CE1' ' O ' ' A' ' 83' ' ' SER . 0.7 OUTLIER -55.01 -61.13 2.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -49.08 -52.15 27.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -47.98 -43.43 29.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 26.7 m-85 -83.37 -22.02 32.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 54.01 38.99 61.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.42 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 80.4 p -167.53 171.37 10.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.388 . . . . 0.0 110.858 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.25 107.33 3.5 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 147.93 64.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.7 p -88.17 134.1 33.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.3 p -38.6 -41.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t -132.44 129.0 38.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.823 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -111.4 133.87 53.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.17 166.46 12.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -141.48 136.96 31.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -100.8 150.67 22.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.91 123.79 0.82 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.2 pt -87.9 156.57 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mp -89.96 137.79 32.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -74.95 -62.54 1.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 t -122.38 175.24 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mt -110.96 109.33 19.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.1 m -89.19 -51.54 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.85 173.36 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -74.76 174.66 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -43.36 -56.16 3.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 2.5 p90 -140.63 144.78 35.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.56 143.15 26.15 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -43.17 2.83 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.713 2.275 . . . . 0.0 112.315 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -64.51 -39.83 94.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -64.49 -44.87 89.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.97 -56.99 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.461 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 62.9 mt -64.84 -41.25 95.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.9 47.16 2.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -125.35 174.46 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -125.7 174.45 8.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -45.43 -58.92 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.9 p -46.23 -22.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.68 116.79 13.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLN . 53.4 m -106.97 174.33 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.454 ' NE2' ' CD ' ' A' ' 75' ' ' ARG . 7.2 mm-40 -34.62 -42.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.48 -63.58 1.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -52.26 -45.52 65.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.4 mt -54.83 -57.29 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.428 ' CG ' ' HE2' ' A' ' 39' ' ' LYS . 5.5 ttpm? -44.21 -63.26 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -50.07 -33.24 17.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.5 -49.48 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' LYS . 17.9 t80 -56.48 -60.02 4.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' HE2' ' CG ' ' A' ' 35' ' ' LYS . 3.3 mptp? -36.49 -50.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -56.92 -57.82 10.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 15.9 mt -56.79 -59.04 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.407 ' HB3' ' CE1' ' A' ' 38' ' ' TYR . . . -52.78 -34.61 54.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -73.15 -43.31 61.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -68.97 -58.39 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.553 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 64.6 m95 -78.66 10.63 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -54.39 120.04 23.98 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 0.96 4.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -89.18 -35.0 16.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -99.22 -29.93 12.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.452 ' ND2' ' HB2' ' A' ' 55' ' ' ALA . 31.8 m-20 -68.13 133.86 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.97 -41.64 7.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -53.34 132.86 52.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.73 . . . . 0.0 110.848 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.6 3.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.38 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ASP . . . 132.66 -37.21 2.05 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.452 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . . . -36.93 -40.39 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.724 0.297 . . . . 0.0 111.063 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -54.17 -47.85 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 54' ' ' GLY . 3.1 t70 -43.01 -59.43 2.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.553 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 18.1 tpt180 -54.82 -48.73 72.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -49.05 -49.76 39.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.7 mt -47.71 -44.12 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -60.82 -53.94 51.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.9 mt -47.96 -49.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.7 t -61.17 -49.24 78.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -56.87 -40.15 75.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.48 -50.17 68.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 70' ' ' SER . 17.4 t80 -62.13 -48.07 81.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -38.42 -43.58 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.3 mt -57.41 -51.68 66.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' SER . 6.2 mt -75.56 -59.57 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 13.3 t -36.67 -44.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -74.58 120.87 20.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -56.34 -44.23 79.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.97 -61.59 1.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -50.11 -44.21 52.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.454 ' CD ' ' NE2' ' A' ' 31' ' ' GLN . 55.4 ttt-85 -58.07 -61.6 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' ASN . 86.5 m -42.42 -60.48 1.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 76' ' ' THR . 56.2 m-20 -36.61 -51.53 0.85 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.36 -59.29 4.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.12 -47.38 62.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -51.28 -44.99 61.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.449 ' HA ' ' CB ' ' A' ' 86' ' ' SER . 6.3 m-85 -72.92 -21.85 60.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.58 39.41 96.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.8 t 55.46 41.99 30.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.906 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.08 174.0 37.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 85.45 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.449 ' CB ' ' HA ' ' A' ' 81' ' ' TYR . 12.1 t -93.22 138.11 31.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.7 m -55.44 -60.63 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -98.35 143.01 29.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m 56.79 44.34 23.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.65 98.37 2.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.45 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -83.94 -59.33 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 0.0 110.855 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -56.1 135.4 52.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.74 -156.95 12.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.85 155.79 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 111.126 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.6 tp -154.65 160.25 41.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -65.18 113.44 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 t -82.34 -61.82 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 mt -130.82 170.6 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.4 m -59.54 124.94 21.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.65 162.9 24.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 16' ' ' ASP . 1.8 pt? -118.14 172.17 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 15' ' ' LEU . 43.1 m-20 -36.12 -58.75 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.442 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 6.4 p90 -149.14 162.16 40.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.461 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 1.4 t70 -111.91 141.18 24.33 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.597 0.713 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 53.5 Cg_endo -69.76 -39.67 6.22 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.743 2.295 . . . . 0.0 112.339 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.552 ' CE1' HD23 ' A' ' 69' ' ' LEU . 13.0 m-85 -68.82 -47.67 65.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -60.82 -44.62 96.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 18' ' ' ASP . 95.5 t -63.56 -55.62 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.491 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 10.6 mt -58.36 -22.74 54.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.07 49.42 5.31 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.59 166.79 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 111.121 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -114.18 177.55 4.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -55.21 -30.92 60.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.3 p -64.75 -22.89 67.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.75 126.28 29.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' GLN . 7.1 m -106.29 163.89 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.467 ' N ' HD11 ' A' ' 34' ' ' ILE . 24.7 mm-40 -35.87 -35.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.04 -57.83 7.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.488 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 5.4 m-20 -59.61 -37.82 79.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.467 HD11 ' N ' ' A' ' 31' ' ' GLN . 21.2 mt -56.44 -48.91 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -55.6 -54.51 43.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.488 ' CD ' ' HA ' ' A' ' 33' ' ' ASP . 13.3 ptmt -59.06 -48.66 80.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.39 -23.23 63.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.633 ' CD2' ' CD2' ' A' ' 66' ' ' TYR . 2.7 t80 -73.88 -68.02 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -48.08 -45.63 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -50.43 -55.59 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 23' ' ' LEU . 9.6 mt -60.84 -41.63 96.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.79 81.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 14.2 mtp-105 -76.89 -37.63 55.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -70.72 -57.37 4.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -83.52 12.73 5.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.499 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 5.2 t-80 -54.69 139.89 59.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.631 0.729 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.499 ' HD2' ' CG ' ' A' ' 46' ' ' HIS . 53.8 Cg_endo -69.79 -42.34 3.46 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.413 ' HB2' ' ND1' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -56.47 -31.44 64.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -92.77 -30.09 15.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.456 ' ND2' ' HB2' ' A' ' 55' ' ' ALA . 64.8 m-20 -85.24 126.31 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -98.5 -32.6 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.15 139.64 64.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.631 0.729 . . . . 0.0 110.867 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 116.13 4.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ASP . . . 119.71 -38.97 2.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.456 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . . . -36.97 -43.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.761 0.315 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -50.72 -45.11 58.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 54' ' ' GLY . 4.7 m-20 -42.72 -54.69 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -54.19 -49.16 69.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.484 ' CG ' ' HD3' ' A' ' 47' ' ' PRO . 53.5 t80 -54.16 -42.01 69.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.1 mt -58.39 -42.61 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.134 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -68.91 -52.17 32.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 32.9 mt -50.65 -46.89 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -63.22 -47.21 83.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -58.28 -37.85 75.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.74 88.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.633 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 13.2 t80 -70.39 -42.81 71.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -41.7 -36.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.2 mt -73.27 -53.53 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.552 HD23 ' CE1' ' A' ' 20' ' ' TYR . 10.6 mt -66.48 -61.37 2.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 66' ' ' TYR . 59.9 p -41.48 -40.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -82.5 139.09 34.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -76.57 -50.47 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -52.77 -52.49 56.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -62.45 -62.45 1.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -47.07 -63.7 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 62.2 m -46.04 -37.83 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -68.66 -49.06 62.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.5 ' CE1' ' HA ' ' A' ' 83' ' ' SER . 12.3 t80 -58.72 -59.15 5.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -53.83 -54.94 31.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -52.8 -39.25 62.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.458 ' CD2' ' HA3' ' A' ' 84' ' ' GLY . 4.6 t80 -71.62 -18.08 62.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.69 40.01 54.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.5 ' HA ' ' CE1' ' A' ' 78' ' ' TYR . 35.0 m 57.81 42.35 23.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.972 0.415 . . . . 0.0 110.892 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.458 ' HA3' ' CD2' ' A' ' 81' ' ' TYR . . . -79.14 152.48 36.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -174.93 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.8 p -137.98 158.34 44.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.2 t -60.87 -55.02 38.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 m -60.49 149.57 33.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p -119.98 124.46 45.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.828 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.21 -155.09 0.9 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.8 p -108.99 150.75 27.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.835 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -54.1 -62.51 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.43 56.91 3.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.435 ' N ' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -73.26 161.51 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 111.123 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -124.28 110.34 14.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.86 148.7 42.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.0 p -86.26 -55.56 3.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mp -140.34 138.42 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.5 m -114.36 144.7 42.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.85 92.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' ASP . 2.2 pt? -135.14 177.44 7.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' LEU . 35.7 m-20 -35.34 -66.57 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 5.2 p90 -130.4 162.46 29.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 1.5 t70 -104.8 141.12 21.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.555 0.693 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 53.9 Cg_endo -69.71 -36.72 10.41 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.562 ' CE1' HD12 ' A' ' 69' ' ' LEU . 5.2 m-85 -70.71 -39.82 73.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.957 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -66.41 -48.57 69.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.1 t -59.58 -55.45 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.2 mt -60.21 -41.46 93.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.93 47.5 2.07 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.505 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 29' ' ' ALA . 3.8 m -135.7 153.12 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -105.56 174.71 5.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -44.16 -53.45 6.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.3 m -43.4 -35.68 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.462 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . . . -66.97 122.78 18.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -102.02 177.19 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -43.03 -42.48 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.8 -62.24 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -54.14 -45.2 71.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.2 mt -54.31 -48.7 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -51.52 -62.18 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -56.57 -43.79 80.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.86 82.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -57.22 -58.23 9.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.14 -45.59 43.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -46.83 -59.16 3.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.411 ' CB ' HG22 ' A' ' 62' ' ' ILE . 13.3 mt -59.34 -55.63 32.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.12 -38.32 17.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -66.86 -44.46 80.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -68.64 -57.91 5.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.517 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 83.7 m95 -80.06 12.07 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.5 t-80 -52.66 117.39 10.76 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.6 0.714 . . . . 0.0 110.867 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.407 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.5 Cg_endo -69.84 -24.34 29.43 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.556 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 1.8 m-20 -67.66 -35.72 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -96.59 -29.93 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 29.0 m-20 -71.68 107.96 4.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -73.55 -42.48 61.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.31 132.69 52.45 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.621 0.724 . . . . 0.0 110.855 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 118.48 5.71 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.24 . . . . 0.0 112.331 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.57 -36.55 2.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.87 -41.74 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.713 0.292 . . . . 0.0 111.068 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' ASP . 51.5 tt0 -52.71 -53.53 46.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' GLU . 6.3 t70 -34.67 -57.93 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.517 ' HG2' ' CD2' ' A' ' 45' ' ' TRP . 5.8 tpt85 -57.64 -48.91 78.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -50.64 -50.94 53.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.6 mt -45.97 -45.97 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.66 -49.07 78.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.44 HD11 ' CD1' ' A' ' 45' ' ' TRP . 19.7 mt -54.37 -55.3 15.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -55.96 -49.98 72.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -59.16 -40.62 86.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.6 -55.81 29.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 70' ' ' SER . 15.0 t80 -63.57 -42.69 98.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -40.04 -43.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.9 mt -61.26 -55.05 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 20' ' ' TYR . 23.3 mt -67.01 -61.52 1.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 9.8 t -35.81 -48.84 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -69.14 145.86 52.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 4.6 pt-20 -80.69 -38.23 29.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 24.1 mt-10 -66.72 -64.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -47.46 -54.69 10.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -51.85 -57.79 8.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 82.5 m -42.65 -64.14 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -42.04 -47.72 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -50.39 -59.94 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -58.02 -49.47 76.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -52.12 -34.26 43.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -68.67 -22.07 64.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 108.98 -19.85 29.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.9 p 52.55 40.1 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.4 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -154.92 157.36 27.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -50.24 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.383 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 m 61.39 43.35 10.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.9 t -99.77 146.32 26.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.513 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t -61.16 160.29 10.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.836 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -76.41 -58.92 3.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.4 -91.24 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 p -125.9 168.11 14.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 m -132.24 153.8 50.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.25 156.47 19.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.67 117.72 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 9' ' ' LEU . 4.3 mm? -63.84 -53.48 49.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 57.68 43.09 22.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.3 p -106.2 142.66 35.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.521 ' C ' ' CD2' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.59 -5.63 50.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.463 ' N ' HD13 ' A' ' 12' ' ' LEU . 28.2 p -57.65 -44.73 85.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.81 163.45 27.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' ASP . 1.2 pt? -62.62 169.45 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' LEU . 8.5 m-20 -35.66 -58.98 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.493 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 4.0 p90 -140.64 154.78 46.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.402 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 2.5 t70 -97.56 140.31 21.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.587 0.708 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 53.5 Cg_endo -69.8 -42.93 2.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.623 2.215 . . . . 0.0 112.356 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -64.58 -43.32 94.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -64.15 -45.95 86.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.6 t -57.25 -62.09 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.429 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 82.9 mt -62.68 -43.28 99.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.97 45.87 2.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.404 ' HB ' ' CB ' ' A' ' 29' ' ' ALA . 0.8 OUTLIER -120.44 170.81 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 111.141 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -121.79 177.86 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -48.49 -58.93 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 t -46.89 -24.05 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.404 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . . . -70.7 119.51 14.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 31' ' ' GLN . 2.7 m -112.19 173.99 6.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 30' ' ' SER . 6.6 tp-100 -34.32 -41.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.95 -64.56 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.168 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -56.93 -41.67 78.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.523 HG23 ' CE1' ' A' ' 66' ' ' TYR . 38.4 mt -53.97 -66.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -44.29 -53.05 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -58.17 -37.6 75.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.27 -43.77 81.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -57.09 -60.5 3.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -40.29 -52.14 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -50.87 -57.04 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 4.6 mt -56.67 -59.8 4.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.17 -39.73 30.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -64.68 -44.04 91.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -70.0 -57.83 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.438 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 74.5 m95 -79.22 11.54 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.3 t-80 -51.92 116.07 7.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.722 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.416 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.9 Cg_endo -69.78 -15.59 37.09 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.566 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -70.34 -38.54 74.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -97.2 -30.14 13.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.458 ' ND2' ' HB2' ' A' ' 55' ' ' ALA . 30.6 m-20 -69.77 140.4 53.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -112.95 -34.89 5.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.66 136.19 71.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.606 0.717 . . . . 0.0 110.88 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 104.57 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.639 2.226 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.35 -42.61 0.93 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.458 ' HB2' ' ND2' ' A' ' 50' ' ' ASN . . . -38.15 -43.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' ASP . 15.4 tt0 -55.27 -57.82 10.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' GLU . 9.0 m-20 -34.79 -51.04 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' HG2' ' CD2' ' A' ' 45' ' ' TRP . 11.6 tpt180 -66.12 -51.11 61.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -46.12 -45.1 16.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.7 mt -56.39 -45.53 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -62.35 -46.95 86.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.5 mt -50.58 -53.78 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.8 t -58.53 -46.58 86.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -57.52 -42.43 82.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.2 -56.72 15.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 9.5 t80 -58.01 -47.0 84.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.923 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -38.33 -46.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 78.2 mt -57.01 -53.32 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 70' ' ' SER . 8.9 mt -71.73 -62.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.568 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 4.4 t -34.38 -47.71 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -79.28 135.36 36.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -63.21 -59.28 4.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -47.22 -67.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -41.92 -60.58 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.3 ttp85 -43.17 -56.99 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 94.3 m -52.85 -53.38 49.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -54.51 -60.82 2.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.43 ' CE2' ' HG3' ' A' ' 19' ' ' PRO . 2.5 t80 -49.34 -58.46 5.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -53.29 -43.41 67.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.816 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -51.77 -50.18 61.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.8 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -72.62 -21.79 61.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 54.18 33.34 51.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.9 t -39.85 -58.28 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.892 0.377 . . . . 0.0 110.869 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.96 -158.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.82 3.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.3 t -55.09 -46.71 75.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -145.49 145.15 30.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -60.01 125.05 22.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.7 p 52.59 40.73 30.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.46 153.24 44.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 m -77.89 127.94 33.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 p -84.4 -30.96 24.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.79 86.39 1.87 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.439 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -60.54 170.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.11 130.62 36.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -122.89 114.17 20.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t 63.15 44.26 5.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 mp 54.39 41.75 31.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.9 t -54.03 -47.48 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.8 169.2 17.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -90.06 173.08 8.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -38.0 -60.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 5.1 p90 -136.56 152.43 50.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 1.4 t70 -88.76 141.1 29.69 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 54.1 Cg_endo -69.7 -34.32 15.02 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.691 2.26 . . . . 0.0 112.411 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.53 ' CE2' HD23 ' A' ' 69' ' ' LEU . 33.8 m-85 -74.19 -27.92 61.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -78.64 -42.4 28.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.8 -60.64 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.6 mt -58.71 -32.01 68.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.98 43.01 4.54 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -135.11 174.13 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 111.074 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -120.36 176.33 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -55.9 -30.47 61.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.413 ' N ' ' HG2' ' A' ' 27' ' ' ARG . 9.0 t -68.14 -18.63 64.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.78 120.31 20.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.061 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.8 m -97.22 172.07 8.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -40.2 -34.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.19 -67.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -55.35 -43.67 75.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 37' ' ' ALA . 41.2 mt -59.63 -66.31 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -39.3 -45.46 1.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -64.6 -36.77 85.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' ILE . . . -71.11 -37.71 72.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.406 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 2.8 t80 -64.61 -64.15 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 17.7 mttt -48.17 -55.08 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -49.3 -48.4 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.42 -58.88 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.55 -42.68 34.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -66.26 -43.17 87.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -66.32 -59.86 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -77.74 8.95 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -53.84 123.72 40.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.402 ' HD3' ' CG ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.74 -32.53 18.45 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -54.43 -31.83 56.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -103.16 -30.05 10.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.473 ' ND2' ' HB3' ' A' ' 55' ' ' ALA . 5.7 t-20 -67.78 139.86 56.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -102.55 -32.1 10.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -60.19 125.44 81.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.708 . . . . 0.0 110.846 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 104.32 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.727 2.285 . . . . 0.0 112.36 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.66 -34.82 2.0 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.537 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.473 ' HB3' ' ND2' ' A' ' 50' ' ' ASN . . . -37.72 -41.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ASP . 32.7 tt0 -42.38 -55.87 3.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' GLU . 37.0 t0 -35.24 -58.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -58.62 -54.93 41.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.402 ' CG ' ' HD3' ' A' ' 47' ' ' PRO . 12.3 t80 -44.56 -40.92 6.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 75.3 mt -60.48 -47.95 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.439 ' NE2' ' CE2' ' A' ' 17' ' ' PHE . 11.0 mm100 -56.66 -45.72 81.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 35.1 mt -49.16 -42.3 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -70.38 -42.26 71.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -60.76 -47.94 84.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.68 -49.93 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -66.45 -48.61 69.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -39.25 -42.3 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 29.4 mt -63.51 -58.28 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.53 HD23 ' CE2' ' A' ' 20' ' ' TYR . 11.4 mt -66.67 -61.47 1.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' LEU . 8.0 t -34.5 -52.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -77.62 127.94 33.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.16 -56.1 26.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -41.78 -60.32 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -58.3 9.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.1 ttt-85 -40.95 -59.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 91.4 m -56.48 -54.68 42.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -38.16 -37.32 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.4 -59.89 2.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -52.71 -48.35 66.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.831 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -55.27 -32.25 62.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -69.14 -21.93 63.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.45 38.53 1.2 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.0 t -44.52 -52.34 8.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.948 0.404 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.18 168.75 32.67 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -42.43 3.35 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.251 . . . . 0.0 112.314 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.6 m -137.03 112.43 9.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.3 m -111.7 111.19 22.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m -158.29 161.77 37.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.384 . . . . 0.0 110.843 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -161.79 165.48 27.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.62 153.62 21.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -150.25 107.15 3.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -64.1 -50.29 68.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.9 140.65 6.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.9 mp -140.26 146.94 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.853 0.359 . . . . 0.0 111.194 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.422 ' N ' HD22 ' A' ' 9' ' ' LEU . 1.1 pt? -128.66 164.41 22.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -97.79 122.15 40.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.1 p -96.73 -58.29 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 tt -80.01 139.21 37.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 t -53.36 168.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -160.04 167.6 27.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.128 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -82.69 174.79 10.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -41.47 -58.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.542 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 1.2 p90 -148.16 137.94 22.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.423 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 1.6 t70 -97.15 141.15 22.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.717 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 54.0 Cg_endo -69.74 -37.56 9.05 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.255 . . . . 0.0 112.365 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -69.46 -42.08 75.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.06 -43.83 90.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.29 -48.03 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.4 mt -71.0 -27.61 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.2 46.14 5.67 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.439 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.08 160.98 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -109.49 171.67 7.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -52.92 -30.82 36.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 t -64.13 -23.99 67.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.31 131.94 43.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 32' ' ' ALA . 59.6 p -106.3 170.7 7.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -40.51 -28.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -70.76 -61.43 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -55.74 -39.8 71.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.9 mt -60.14 -58.72 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -50.31 -41.76 51.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -71.04 -34.55 71.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.44 77.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 39' ' ' LYS . 12.0 t80 -58.39 -64.29 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 38' ' ' TYR . 1.5 mptm? -34.35 -54.78 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.41 -57.32 10.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mt -53.9 -46.1 71.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.22 86.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -70.13 -44.33 69.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -69.05 -57.65 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.591 ' CH2' ' NH1' ' A' ' 58' ' ' ARG . 80.7 m95 -79.79 10.75 3.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -51.98 107.29 0.8 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.57 0.7 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.588 ' CD ' ' CD1' ' A' ' 59' ' ' PHE . 53.9 Cg_endo -69.72 -28.95 24.82 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -57.63 -28.83 64.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.96 -29.51 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.465 ' ND2' ' HB3' ' A' ' 55' ' ' ALA . 4.9 t-20 -59.83 151.8 24.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -117.03 -31.19 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.13 134.6 95.87 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 110.852 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 110.84 2.67 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 138.04 -39.53 1.58 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.465 ' HB3' ' ND2' ' A' ' 50' ' ' ASN . . . -36.92 -46.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 111.097 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -50.87 -47.79 60.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -42.77 -51.45 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.591 ' NH1' ' CH2' ' A' ' 45' ' ' TRP . 13.7 tpp85 -64.89 -48.29 74.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.588 ' CD1' ' CD ' ' A' ' 47' ' ' PRO . 37.8 t80 -46.39 -46.6 18.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.5 mt -54.21 -50.85 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 64' ' ' LYS . 76.4 mt-30 -60.82 -59.27 5.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.9 mt -41.04 -43.39 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 t -74.68 -34.55 62.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLN . 56.8 mmtt -75.15 -17.02 60.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.69 -39.68 13.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.057 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.409 ' CZ ' ' HB2' ' A' ' 70' ' ' SER . 16.8 t80 -77.16 -42.43 37.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -45.77 -29.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 75' ' ' ARG . 82.8 mt -74.06 -48.38 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' SER . 11.2 mt -76.99 -58.02 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' LEU . 11.0 t -35.04 -50.88 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -78.45 123.36 26.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' CD ' ' HG3' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -58.39 -41.34 84.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' HG3' ' CD ' ' A' ' 72' ' ' GLU . 25.6 mt-10 -67.31 -56.55 9.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -53.72 -47.22 70.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' ILE . 33.2 ttp180 -52.45 -53.96 38.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.3 m -63.6 -40.93 98.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -60.07 -40.87 90.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -62.75 -41.87 99.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -70.75 -46.15 63.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -57.1 -31.46 65.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -68.24 -21.98 64.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 83' ' ' SER . . . 111.51 38.81 1.41 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' GLY . 21.1 p -35.82 -51.63 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.934 0.397 . . . . 0.0 110.875 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.12 -158.02 24.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.455 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 109.13 2.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.244 . . . . 0.0 112.362 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.6 p -125.13 138.75 54.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 55.7 m 60.97 40.97 14.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 m -98.71 169.95 9.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.915 0.388 . . . . 0.0 110.854 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -67.8 -48.58 65.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.819 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.14 83.95 0.81 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -85.35 171.3 11.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.915 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 m -141.92 111.13 6.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.41 52.51 0.17 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.545 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.3 mt -125.25 118.88 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 111.109 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -52.05 156.45 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -77.36 113.78 15.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' LEU . 3.7 t -95.31 -61.61 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.8 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' SER . 3.1 mp -36.4 -51.3 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 m -71.78 119.32 15.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.78 -39.14 15.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -91.38 171.16 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -39.58 -53.64 2.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.459 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 6.0 p90 -138.63 144.2 39.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -89.65 138.35 28.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -37.36 9.29 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.651 2.234 . . . . 0.0 112.357 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -69.97 -38.05 75.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.7 mmm-85 -69.58 -47.28 64.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.424 HG11 ' CB ' ' A' ' 65' ' ' ALA . 84.9 t -53.33 -57.21 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.07 -27.96 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.19 45.31 5.94 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.468 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.36 176.83 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.01 178.28 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -63.66 -30.21 71.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.9 p -72.53 -14.5 61.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.16 126.36 25.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' ALA . 1.5 t -107.39 157.81 17.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' SER . 4.7 mm-40 -34.15 -34.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -70.35 -57.66 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -42.72 82.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.3 mt -56.44 -57.82 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -50.03 -42.32 49.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -68.38 -39.57 81.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.63 -36.09 80.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.434 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 1.7 t80 -65.57 -60.49 2.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 22.6 mttt -44.85 -40.63 6.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -57.86 -64.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mt -52.31 -38.85 59.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.62 83.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -70.09 -44.99 67.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -70.63 -54.98 9.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.585 ' CH2' ' CZ ' ' A' ' 58' ' ' ARG . 84.8 m95 -80.91 12.84 2.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.459 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.9 t-80 -55.97 120.42 33.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.549 ' HD3' ' CD2' ' A' ' 59' ' ' PHE . 53.8 Cg_endo -69.74 -20.05 35.43 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.369 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.459 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 0.9 OUTLIER -70.57 -37.51 73.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -95.22 -30.06 14.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -71.37 125.76 27.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -99.26 -37.61 9.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.01 139.2 71.58 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 117.65 5.21 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.11 -40.98 1.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -37.18 -40.91 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.704 0.288 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 57' ' ' ASP . 32.4 tt0 -56.19 -54.84 40.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' GLU . 12.2 t70 -37.51 -57.9 0.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.585 ' CZ ' ' CH2' ' A' ' 45' ' ' TRP . 7.8 tpp85 -58.58 -47.84 82.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.549 ' CD2' ' HD3' ' A' ' 47' ' ' PRO . 10.7 t80 -48.67 -44.31 37.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.0 mt -54.44 -49.43 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -59.04 -47.87 83.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.9 mt -51.97 -51.23 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -63.1 -49.4 74.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -55.52 -41.77 73.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.424 ' CB ' HG11 ' A' ' 22' ' ' VAL . . . -59.33 -57.04 14.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.521 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 11.3 t80 -59.83 -45.69 91.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -39.48 -45.75 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 75' ' ' ARG . 52.2 mt -62.11 -47.37 93.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' SER . 11.4 mt -75.15 -65.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.521 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 3.1 t -37.97 -42.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -77.28 120.93 23.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.1 -40.63 81.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -63.8 -61.82 2.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -54.81 -47.68 73.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' ILE . 13.4 ttp180 -54.8 -57.48 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 56.2 m -58.43 -44.99 89.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -45.97 -49.51 15.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -54.3 -62.17 1.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.09 -55.42 20.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -52.31 -37.41 55.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -68.57 -22.12 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.93 34.31 61.49 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m -58.54 -50.46 73.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.62 145.45 16.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 86' ' ' SER . 53.3 Cg_endo -69.74 -4.53 14.2 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.737 2.291 . . . . 0.0 112.348 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 85' ' ' PRO . 99.4 p -34.79 -49.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.4 t -55.43 -60.57 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -77.03 -43.23 35.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -95.52 -54.97 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.23 93.92 0.47 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 m -64.08 128.72 37.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.83 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 m -92.51 144.31 25.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.47 96.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.1 mp -109.74 142.17 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 111.127 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.422 HD11 ' C ' ' A' ' 9' ' ' LEU . 3.2 pp -138.25 166.07 25.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -102.44 146.5 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -87.27 151.85 22.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.403 ' C ' ' CD2' ' A' ' 12' ' ' LEU . 5.4 tt -154.83 112.58 3.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.8 m -133.43 132.9 41.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.63 -35.54 57.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.066 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -118.3 169.36 9.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -39.31 -57.72 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.518 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 3.0 p90 -149.07 146.31 27.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 1.8 t70 -86.92 141.22 33.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 0.0 110.848 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 53.4 Cg_endo -69.79 -29.49 23.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -77.94 -39.06 43.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mmt85 -67.21 -46.19 74.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.831 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.03 -58.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.1 mt -62.83 -38.05 89.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.03 43.98 3.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.19 156.52 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.34 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 p -99.17 175.22 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -62.42 -29.17 70.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.6 p -82.78 -13.07 56.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.03 119.49 14.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' ASP . 2.7 m -101.49 170.78 7.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' SER . 0.9 OUTLIER -34.86 -57.45 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.56 -43.1 11.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' SER . 6.4 m-20 -71.84 -42.97 66.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 37' ' ' ALA . 58.0 mt -60.0 -61.1 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -39.91 -36.99 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -77.0 -37.11 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 34' ' ' ILE . . . -68.6 -32.92 73.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.401 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 2.6 t80 -73.88 -63.06 1.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 15.9 mttm -47.23 -43.09 21.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -58.13 -61.43 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 mt -55.16 -40.49 70.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.95 78.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -74.19 -44.25 54.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.09 -54.83 7.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.46 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 72.1 m95 -76.79 7.57 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.574 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.7 t-160 -54.66 131.27 64.72 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.589 0.709 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.574 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 54.2 Cg_endo -69.7 -20.88 34.54 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.735 2.29 . . . . 0.0 112.364 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.72 -46.27 89.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -90.67 -30.05 17.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.466 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 34.0 m-20 -74.27 118.06 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -97.04 -36.47 10.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.96 140.54 61.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.599 0.714 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 116.04 4.38 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.651 2.234 . . . . 0.0 112.311 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' GLU . . . 131.86 -44.44 1.2 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.52 -31.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.737 0.303 . . . . 0.0 111.103 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' GLY . 42.8 tt0 -65.09 -55.42 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -35.91 -59.3 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.46 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 11.2 tpt180 -54.03 -53.86 47.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -46.43 -49.75 17.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.7 mt -49.62 -45.58 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -66.44 -57.93 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.0 mt -41.3 -42.2 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -70.47 -41.74 72.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -62.57 -45.03 94.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.95 -46.95 75.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.514 ' CE1' ' HB3' ' A' ' 70' ' ' SER . 11.1 t80 -66.37 -49.14 67.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -38.82 -40.36 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.1 mt -68.31 -55.02 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.186 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' SER . 23.9 mt -69.64 -61.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.514 ' HB3' ' CE1' ' A' ' 66' ' ' TYR . 86.5 p -35.86 -38.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -80.68 144.6 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -79.86 -43.57 22.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.62 -53.27 57.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -59.22 -61.72 2.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -43.43 -54.46 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.0 m -60.86 -51.77 67.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.429 ' OD1' ' C ' ' A' ' 77' ' ' ASN . 1.3 t30 -46.48 -45.49 18.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -77.96 -66.46 0.84 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.01 -59.43 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -49.82 -39.42 38.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -69.15 -21.85 63.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' SER . . . 54.35 31.08 50.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 82' ' ' GLY . 1.4 p -37.74 -37.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.831 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 37.68 -149.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 166.99 25.7 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 81.0 p -54.99 -52.38 63.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.5 p -102.0 127.09 49.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.526 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -123.18 135.49 54.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.844 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -121.24 158.87 27.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.54 45.68 6.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -77.63 -56.58 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.918 0.39 . . . . 0.0 110.88 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 m -61.77 -64.46 0.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.53 166.84 42.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.0 mm -118.3 131.27 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -50.52 -55.18 17.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 54.44 44.56 28.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.1 p -84.62 104.98 15.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 mp -132.83 177.72 7.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.7 t -85.8 158.04 20.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.01 167.8 21.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -85.23 177.97 7.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -44.94 -56.95 4.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 2.6 p90 -137.57 143.22 41.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.7 144.09 27.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -46.87 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -59.8 -44.36 94.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -65.89 -45.39 82.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.6 t -55.71 -51.62 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.7 mt -71.67 -29.64 64.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.39 41.0 5.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -123.69 162.36 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 111.101 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -111.56 175.15 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.806 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.4 ptt-85 -50.74 -45.04 58.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 t -52.87 -29.06 25.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.45 130.25 42.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 32' ' ' ALA . 29.7 m -115.55 172.23 7.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 30' ' ' SER . 17.6 mm100 -36.5 -32.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -68.34 -65.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -56.28 -40.39 74.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.8 mt -59.35 -60.06 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -52.07 -46.49 65.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -67.2 -29.74 69.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.71 -41.91 61.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' LYS . 10.1 t80 -59.47 -60.94 3.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' TYR . 1.5 mptm? -36.63 -58.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -46.76 -55.24 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 mt -57.53 -46.29 84.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.33 78.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -72.11 -42.78 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -69.83 -57.43 5.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -83.03 16.38 2.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.566 ' CD2' ' HB3' ' A' ' 48' ' ' ASP . 7.2 t60 -54.59 126.22 55.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.561 0.696 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.558 ' HD3' ' CD1' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.74 -28.06 25.83 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.566 ' HB3' ' CD2' ' A' ' 46' ' ' HIS . 34.4 t70 -65.74 -34.49 78.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -93.66 -30.05 15.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.465 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 35.9 m-20 -80.11 110.49 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HE2' ' C ' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -88.48 -24.24 23.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.87 141.14 98.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.575 0.703 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 118.03 5.44 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.378 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.07 -45.5 1.14 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.26 -41.34 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.757 0.313 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -55.55 -55.02 36.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -40.88 -61.32 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.435 ' NH1' ' HB2' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -53.7 -47.75 70.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.558 ' CD1' ' HD3' ' A' ' 47' ' ' PRO . 31.9 t80 -50.82 -43.07 58.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.1 mt -56.88 -40.21 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -64.5 -44.63 90.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.3 mt -58.78 -47.22 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 t -66.69 -45.57 78.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -63.79 -33.77 76.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.61 -55.44 11.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 9.8 t80 -61.87 -43.26 99.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -39.76 -47.26 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.7 mt -57.43 -57.47 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 70' ' ' SER . 9.9 mt -65.67 -63.25 1.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.566 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 9.4 t -34.8 -42.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.465 ' CB ' ' HD3' ' A' ' 74' ' ' LYS . 4.6 m120 -79.49 131.65 36.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -59.49 -59.23 5.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -50.52 -65.66 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HD3' ' CB ' ' A' ' 71' ' ' ASN . 6.9 mptt -47.37 -54.65 10.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.9 ttp85 -42.44 -54.19 3.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 83.1 m -65.77 -49.37 68.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -47.46 -46.68 27.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.52 ' CD2' ' HB2' ' A' ' 83' ' ' SER . 17.7 t80 -45.91 -58.29 3.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -53.27 -52.99 57.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -56.59 -32.84 65.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -72.76 -19.68 61.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 83' ' ' SER . . . 110.62 39.89 1.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.52 ' HB2' ' CD2' ' A' ' 78' ' ' TYR . 14.2 t -34.62 -52.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.952 0.406 . . . . 0.0 110.854 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -138.93 -112.92 1.09 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 88.6 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.5 t -123.53 142.01 51.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.1 m 60.48 42.28 14.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 p -40.08 -56.68 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.373 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -143.81 145.39 32.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.09 141.76 8.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -154.56 127.88 8.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -114.04 150.6 33.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.23 168.3 16.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.2 mp -98.47 105.25 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 111.156 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.87 -44.14 96.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -74.47 164.42 26.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 m -145.71 146.0 31.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -49.0 -55.34 12.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.6 p -152.41 171.17 18.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.69 174.42 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -98.4 177.97 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -49.42 -62.03 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 3.8 p90 -141.64 144.2 34.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -92.76 142.08 25.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -42.71 3.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.638 2.226 . . . . 0.0 112.374 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -62.86 -40.06 96.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 12.0 mtp-105 -69.85 -46.34 65.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.7 t -61.11 -57.09 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.53 ' CD1' ' CD1' ' A' ' 69' ' ' LEU . 83.3 mt -62.43 -38.81 91.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.96 44.17 3.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -127.66 159.86 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 m -115.36 174.83 5.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -44.33 -52.59 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.1 p -45.68 -34.53 3.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.98 124.25 22.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 p -106.54 174.2 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -38.43 -42.99 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.2 -61.53 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.14 -46.82 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.0 mt -49.42 -54.62 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.203 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.431 ' CG ' ' HE3' ' A' ' 39' ' ' LYS . 11.9 ttpp -56.31 -45.04 80.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.3 mmmt -62.16 -36.66 82.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.64 -44.21 67.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 39' ' ' LYS . 18.6 t80 -57.1 -65.0 0.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 38' ' ' TYR . 2.3 mptm? -34.45 -62.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.4 ' HD2' ' C ' ' A' ' 40' ' ' LYS . 1.3 tmmt? -43.16 -52.98 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 mt -57.95 -39.07 77.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.02 84.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.1 -47.25 62.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.78 -50.58 62.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.555 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 90.2 m95 -88.44 11.95 15.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -51.99 110.56 1.93 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 -31.62 20.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.238 . . . . 0.0 112.378 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.38 -30.56 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -106.16 -27.88 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.47 ' ND2' ' HB1' ' A' ' 55' ' ' ALA . 5.0 t-20 -62.43 139.71 58.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -104.7 -27.32 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.35 133.63 95.72 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 104.41 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 143.27 -32.21 1.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HB1' ' ND2' ' A' ' 50' ' ' ASN . . . -37.12 -40.79 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.751 0.31 . . . . 0.0 111.077 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' ASP . 10.4 tt0 -53.33 -64.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' GLU . 21.5 t0 -36.85 -62.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.555 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 4.9 tpt180 -43.63 -52.77 6.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -57.26 -43.32 82.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 mm -47.41 -39.12 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.195 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -74.37 -47.16 35.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.1 mt -53.01 -46.71 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t -66.81 -45.33 78.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -59.04 -43.95 91.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.57 -52.51 64.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 70' ' ' SER . 12.9 t80 -61.07 -42.09 97.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -40.01 -47.29 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.8 -55.83 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.53 ' CD1' ' CD1' ' A' ' 23' ' ' LEU . 3.6 mt -63.75 -65.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 7.7 t -37.4 -39.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -75.13 125.28 28.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -61.34 -45.38 94.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.65 -61.1 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -51.26 -49.29 61.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.0 ttp85 -53.61 -61.94 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 36.4 m -52.84 -50.26 64.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -45.77 -47.24 15.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -51.94 -62.62 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -50.4 -53.0 32.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -52.81 -36.45 58.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -70.29 -22.03 62.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.94 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 57.11 35.91 72.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.3 m -73.16 132.83 43.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.943 0.401 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.14 -157.18 27.3 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -4.93 15.04 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.731 2.288 . . . . 0.0 112.305 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 84.1 p -105.28 123.54 48.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.1 t -110.07 143.87 39.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 p -41.97 -53.14 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 m -78.91 -58.5 3.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.44 64.83 3.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 t -137.93 116.89 12.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 m -55.93 -54.21 47.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.815 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.9 83.79 1.76 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.419 HD12 ' C ' ' A' ' 8' ' ' ILE . 2.7 pp -87.1 148.55 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.875 0.369 . . . . 0.0 111.17 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.537 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -138.22 167.63 21.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -119.41 149.26 42.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 t -118.58 147.24 43.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.518 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -114.75 -1.2 13.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.6 p -44.61 -52.85 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.27 -48.8 80.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -168.05 177.98 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -43.75 -68.1 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.2 p90 -120.68 155.06 34.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -87.86 142.29 32.24 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.609 0.719 . . . . 0.0 110.854 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -43.13 2.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.32 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -62.15 -38.42 88.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -69.0 -44.47 72.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.5 t -66.9 -47.47 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.404 ' CD1' HD11 ' A' ' 69' ' ' LEU . 9.7 mt -74.48 -34.13 63.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.35 58.21 2.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.523 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.17 157.68 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.125 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 p -95.72 178.06 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 mtm-85 -66.78 -28.97 68.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.4 p -84.98 -10.14 57.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.07 112.56 9.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' ASP . 51.9 p -97.51 171.97 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 30' ' ' SER . 45.6 mm-40 -34.38 -57.34 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.18 -41.95 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' SER . 1.2 m-20 -75.21 -37.88 60.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 37' ' ' ALA . 30.4 mt -62.47 -60.24 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -37.4 -52.93 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -59.7 -38.08 80.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' ILE . . . -67.14 -42.69 83.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -65.21 -55.74 16.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -54.15 -52.31 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.9 tttp -49.9 -42.77 48.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mt -71.37 -46.08 61.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.945 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.31 -34.86 71.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -71.59 -40.69 69.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -70.17 -58.76 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.56 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 83.5 m95 -80.19 11.69 3.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.403 ' ND1' ' HD2' ' A' ' 47' ' ' PRO . 0.5 OUTLIER -53.09 115.26 7.16 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.574 0.702 . . . . 0.0 110.853 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.9 Cg_endo -69.74 -17.13 37.81 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.2 -39.47 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -96.82 -29.83 13.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -73.9 134.18 43.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -104.99 -32.58 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.78 142.22 44.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 0.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 117.85 5.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 127.13 -36.08 2.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' GLY . . . -37.07 -39.27 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 0.0 111.089 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ASP . 22.3 tt0 -61.1 -64.36 0.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' GLU . 3.2 t0 -37.55 -60.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.56 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 9.1 tpt85 -51.26 -46.37 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -60.62 -33.55 72.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mm -57.42 -41.49 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' LYS . 27.4 mt-30 -70.78 -60.22 2.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.2 mt -38.47 -40.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -73.83 -39.57 63.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 61' ' ' GLN . 25.4 mtmm -70.91 -15.81 62.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.92 -27.73 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.542 ' CE2' ' HB2' ' A' ' 70' ' ' SER . 10.0 t80 -85.34 -46.49 10.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' CD ' ' HA ' ' A' ' 64' ' ' LYS . 13.3 pt-20 -40.49 -33.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 40.8 mt -72.82 -50.64 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 70' ' ' SER . 15.8 mt -76.38 -59.04 2.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.946 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.542 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 32.3 t -34.56 -51.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -70.68 132.77 45.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -65.57 -39.39 91.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.54 -68.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -46.29 -44.93 16.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -56.96 -58.01 10.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 60.3 m -56.1 -41.66 75.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -54.55 -31.14 55.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.77 -56.99 7.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.97 -36.89 82.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.848 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -69.82 -17.06 63.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -76.32 -11.85 59.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.76 33.75 2.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.8 t -54.13 121.44 8.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.55 137.55 9.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 121.21 7.9 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.631 2.221 . . . . 0.0 112.341 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.6 t -138.31 147.95 44.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 t -123.92 147.43 47.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.845 0.355 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.534 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 2.5 p90 -151.22 143.03 23.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.822 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -87.62 142.98 33.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.845 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.535 ' CE2' HD21 ' A' ' 69' ' ' LEU . 58.9 m-85 -55.84 -42.79 76.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.1 mmt-85 -64.93 -39.9 94.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 18' ' ' ASP . 74.5 t -64.0 -57.86 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.52 HD13 HG23 ' A' ' 34' ' ' ILE . 42.5 mt -61.85 -33.61 74.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.34 42.08 3.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -133.52 169.11 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.318 . . . . 0.0 111.182 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -115.87 176.19 5.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -53.0 -37.4 61.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.4 m -58.11 -24.72 59.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.69 128.31 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' ALA . 3.5 m -106.79 169.06 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' SER . 12.0 mm-40 -35.61 -33.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -68.61 -61.11 1.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -56.68 -46.06 81.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.52 HG23 HD13 ' A' ' 23' ' ' LEU . 35.1 mt -61.56 -49.8 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 2.0 tmmm? -54.0 -61.06 2.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 35' ' ' LYS . 49.4 tttt -52.47 -42.5 64.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.72 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.404 ' CG ' ' CD2' ' A' ' 66' ' ' TYR . 2.9 t80 -66.92 -63.42 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -53.32 -42.94 67.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -58.78 -42.87 90.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.636 HD23 ' CD1' ' A' ' 45' ' ' TRP . 7.2 mt -72.87 -38.7 66.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.75 -37.33 82.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.5 mtp85 -74.74 -44.51 49.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -69.94 -53.21 18.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.636 ' CD1' HD23 ' A' ' 41' ' ' LEU . 79.2 m95 -84.05 14.46 4.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.586 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.8 t-80 -58.68 137.01 86.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.586 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 53.7 Cg_endo -69.7 -16.87 38.0 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.25 -43.47 92.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.62 -30.03 13.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.435 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 38.9 m-20 -72.39 124.46 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -111.07 -30.75 7.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.13 144.21 50.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 116.94 4.79 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.0 -36.86 2.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -40.75 -56.54 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.777 0.322 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 57' ' ' ASP . 5.0 mp0 -42.21 -60.34 1.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' GLU . 8.2 t70 -36.16 -59.15 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -50.17 -54.53 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -51.8 -56.99 10.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 57' ' ' ASP . 41.1 mt -44.72 -41.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -73.08 -55.57 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.447 HD13 ' HB3' ' A' ' 41' ' ' LEU . 62.4 mt -42.25 -45.14 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 t -64.87 -41.24 95.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -63.73 -46.71 84.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.1 -48.66 61.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.547 ' CD1' ' HB2' ' A' ' 70' ' ' SER . 11.0 t80 -69.76 -44.02 71.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -39.38 -41.46 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.6 mt -67.63 -64.26 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.535 HD21 ' CE2' ' A' ' 20' ' ' TYR . 14.0 mt -60.17 -60.94 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.547 ' HB2' ' CD1' ' A' ' 66' ' ' TYR . 8.6 t -34.57 -50.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -71.76 132.63 44.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -65.45 -51.1 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -57.98 -50.32 73.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -60.83 -48.74 80.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.8 ttp85 -55.08 -58.5 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 87.8 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.944 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.836 0.35 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.515 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 3.4 p90 -143.33 148.18 35.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.547 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.5 t70 -101.36 141.23 22.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.524 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 54.3 Cg_endo -69.7 -35.17 13.32 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -73.3 -41.73 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.8 mtt-85 -68.55 -40.56 80.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 18' ' ' ASP . 42.7 t -64.77 -58.19 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.6 ' O ' HD11 ' A' ' 41' ' ' LEU . 44.4 mt -62.33 -34.0 75.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.47 48.69 3.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -130.79 159.61 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -109.21 174.1 6.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -50.53 -37.42 39.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 t -57.85 -26.26 61.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.12 134.41 46.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 32' ' ' ALA . 9.3 m -119.06 174.21 6.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -38.15 -30.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -72.31 -61.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -57.69 -37.35 73.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.522 HG22 ' CE1' ' A' ' 66' ' ' TYR . 47.9 mt -63.71 -54.78 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -57.9 -34.49 69.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -75.75 -41.45 53.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.59 86.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.561 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 1.6 t80 -58.78 -67.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.944 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.561 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 53.2 mttt -38.19 -59.33 0.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 40' ' ' LYS . 8.2 mptt -45.28 -60.29 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.6 HD11 ' O ' ' A' ' 23' ' ' LEU . 6.0 mt -47.07 -53.24 13.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.47 -35.75 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -67.45 -41.19 85.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.96 -55.93 5.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -77.44 8.41 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -53.73 132.52 56.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.539 0.685 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -32.71 18.0 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.679 2.253 . . . . 0.0 112.369 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -53.94 -42.13 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -89.19 -29.89 18.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.606 ' ND2' ' HB1' ' A' ' 55' ' ' ALA . 32.4 m-20 -81.09 132.02 35.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -111.4 -36.94 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -53.75 144.31 35.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 116.14 4.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 129.48 -43.8 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.606 ' HB1' ' ND2' ' A' ' 50' ' ' ASN . . . -37.07 -46.59 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -55.61 -48.69 74.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -44.25 -61.3 1.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -51.27 -55.36 18.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.777 ' HA ' HD12 ' A' ' 62' ' ' ILE . 36.4 t80 -42.8 -43.8 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.6 mt -58.6 -46.72 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -58.1 -45.34 87.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 59' ' ' PHE . 41.0 mt -52.03 -54.44 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.177 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 t -59.31 -51.32 70.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -54.85 -39.25 68.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.524 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -63.63 -44.91 92.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 70' ' ' SER . 13.9 t80 -66.18 -42.84 88.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -39.28 -51.26 2.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.9 mt -49.45 -54.06 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.431 HD13 HG21 ' A' ' 34' ' ' ILE . 4.8 mt -72.05 -62.77 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 66' ' ' TYR . 46.0 p -41.84 -25.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.816 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' LEU . 19.2 t-20 -90.07 131.59 35.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -62.98 -55.55 24.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -51.13 -67.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -45.89 -60.0 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -52.75 -36.46 57.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.3 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.917 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.891 0.376 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 7.5 p90 -137.09 158.32 44.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.644 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -93.81 141.66 24.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.639 0.733 . . . . 0.0 110.833 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.83 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.475 ' CE1' HD21 ' A' ' 69' ' ' LEU . 68.2 m-85 -56.96 -36.41 70.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -71.42 -40.41 70.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.666 HG11 ' HB2' ' A' ' 65' ' ' ALA . 51.1 t -63.1 -57.26 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 66' ' ' TYR . 35.3 mt -58.95 -33.9 71.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.58 35.55 4.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -122.87 163.43 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 111.136 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 1.8 m -115.2 168.52 9.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -40.87 -55.02 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.6 t -43.83 -35.85 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 26' ' ' SER . . . -62.58 128.87 38.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' GLN . 4.0 t -109.71 174.05 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.769 ' HA ' HD12 ' A' ' 34' ' ' ILE . 4.3 mm100 -36.32 -63.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.44 -60.93 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.436 ' OD1' ' C ' ' A' ' 33' ' ' ASP . 3.5 t0 -52.7 -46.92 67.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.769 HD12 ' HA ' ' A' ' 31' ' ' GLN . 55.7 mt -51.69 -65.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -40.87 -49.38 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -62.95 -37.81 88.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.6 82.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.543 ' CG ' ' CD2' ' A' ' 66' ' ' TYR . 17.6 t80 -60.52 -67.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -36.58 -59.28 0.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 40' ' ' LYS . 8.6 tmtt? -44.4 -52.0 8.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.459 HD23 ' CD1' ' A' ' 45' ' ' TRP . 10.7 mt -65.64 -35.34 80.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.31 71.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -77.5 -43.81 30.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.27 -53.62 13.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.459 ' CD1' HD23 ' A' ' 41' ' ' LEU . 76.5 m95 -83.17 12.78 4.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.432 ' ND1' ' HB2' ' A' ' 48' ' ' ASP . 1.7 t-160 -56.28 125.75 66.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.85 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 54.2 Cg_endo -69.72 -26.28 27.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.432 ' HB2' ' ND1' ' A' ' 46' ' ' HIS . 4.3 m-20 -62.08 -36.59 82.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -96.6 -29.99 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.475 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 1.3 m120 -74.4 118.68 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -99.17 -34.68 10.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -56.21 141.53 69.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.627 0.727 . . . . 0.0 110.834 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.02 5.43 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.06 -40.25 1.67 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -43.31 -42.41 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.724 0.297 . . . . 0.0 111.084 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -57.64 -55.22 37.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.444 ' HA ' HD12 ' A' ' 60' ' ' ILE . 18.1 t0 -42.4 -58.55 2.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -57.12 -47.66 80.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.413 ' CD1' ' HD3' ' A' ' 47' ' ' PRO . 72.4 t80 -47.29 -48.54 24.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 57' ' ' ASP . 34.8 mt -51.79 -48.43 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.41 ' OE1' ' CE2' ' A' ' 17' ' ' PHE . 12.2 mm100 -58.66 -48.59 80.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.6 mt -54.41 -53.75 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 t -62.23 -47.14 85.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -61.73 -29.5 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.666 ' HB2' HG11 ' A' ' 22' ' ' VAL . . . -72.14 -51.0 23.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.702 ' HB2' HD21 ' A' ' 23' ' ' LEU . 9.4 t80 -67.39 -44.25 79.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -38.52 -45.33 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 75.6 mt -55.35 -66.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.475 HD21 ' CE1' ' A' ' 20' ' ' TYR . 33.5 mt -56.53 -54.69 42.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 69' ' ' LEU . 22.2 t -34.25 -49.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 73' ' ' GLU . 20.5 t-20 -72.35 123.59 23.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 7.6 pt-20 -56.82 -37.19 70.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.469 ' N ' ' OD1' ' A' ' 71' ' ' ASN . 2.8 tt0 -71.19 -67.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.417 ' HE2' ' CB ' ' A' ' 71' ' ' ASN . 36.4 mtmt -45.23 -43.36 10.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.9 ttt-85 -57.91 -62.74 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 31.9 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 t70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.338 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 4.9 p90 -157.32 158.23 35.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.465 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.1 m-20 -100.58 143.37 26.41 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.642 0.734 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.47 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 54.0 Cg_endo -69.71 -38.27 8.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.352 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -69.9 -41.78 74.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -64.94 -45.82 84.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 18' ' ' ASP . 55.5 t -61.63 -58.88 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.633 HD21 ' HB2' ' A' ' 66' ' ' TYR . 27.6 mt -56.57 -36.75 69.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.19 38.61 3.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -125.37 165.78 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -115.07 173.46 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -21.08 49.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.4 p -72.88 -14.74 61.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.88 132.81 34.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' GLN . 35.1 m -97.96 162.63 13.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.886 ' HA ' HD12 ' A' ' 34' ' ' ILE . 5.1 tp-100 -35.68 -49.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.66 -66.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -43.15 -40.68 3.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.886 HD12 ' HA ' ' A' ' 31' ' ' GLN . 45.5 mt -56.16 -56.67 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -41.21 -60.44 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -51.11 -37.69 47.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.78 85.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.451 ' CG ' ' CD2' ' A' ' 66' ' ' TYR . 3.9 t80 -62.46 -52.64 62.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -39.71 -60.45 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -46.1 -65.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.574 ' HB3' HD13 ' A' ' 62' ' ' ILE . 35.2 mt -48.69 -38.58 21.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.42 -33.15 73.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.071 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -76.43 -45.32 31.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -71.59 -54.53 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.488 ' CE3' ' HB3' ' A' ' 58' ' ' ARG . 84.4 m95 -80.5 12.83 2.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.49 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.2 t-80 -54.42 115.79 9.31 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.594 0.712 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.58 ' HD3' ' CD2' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.79 -25.16 28.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.49 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 3.9 m-20 -65.25 -32.15 73.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -100.97 -30.11 11.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 25.6 m-20 -77.53 115.89 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.04 -33.2 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -55.95 142.06 65.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.566 0.698 . . . . 0.0 110.904 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 118.18 5.53 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.83 -43.89 1.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -44.64 -40.96 6.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.728 0.299 . . . . 0.0 111.056 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ASP . 13.4 tt0 -60.88 -55.67 30.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' HA ' HD12 ' A' ' 60' ' ' ILE . 2.2 t70 -36.19 -62.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.488 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 10.6 tpt180 -52.61 -55.31 23.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.58 ' CD2' ' HD3' ' A' ' 47' ' ' PRO . 7.0 t80 -44.04 -54.68 5.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 57' ' ' ASP . 54.8 mt -45.08 -45.48 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.68 -45.94 84.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.574 HD13 ' HB3' ' A' ' 41' ' ' LEU . 35.5 mt -55.71 -61.11 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 t -49.69 -46.49 50.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -64.03 -37.7 88.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.47 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -64.24 -53.08 54.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.633 ' HB2' HD21 ' A' ' 23' ' ' LEU . 15.7 t80 -66.62 -47.69 71.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -38.66 -51.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.1 mt -52.72 -53.77 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.433 HD12 HD12 ' A' ' 23' ' ' LEU . 24.1 mt -65.09 -61.89 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.508 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 10.5 t -38.42 -47.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.478 ' CB ' ' HD3' ' A' ' 74' ' ' LYS . 8.1 m-80 -76.46 116.31 17.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -55.5 -40.59 71.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -59.02 -60.15 4.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.478 ' HD3' ' CB ' ' A' ' 71' ' ' ASN . 0.2 OUTLIER -57.4 -54.85 42.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -44.45 -53.14 7.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 79.3 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 -179.926 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.9 t0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.853 0.358 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 1.5 p90 -157.83 138.24 12.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.815 ' O ' HG23 ' A' ' 22' ' ' VAL . 19.0 m-20 -93.58 142.84 25.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.619 0.723 . . . . 0.0 110.851 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -45.51 1.52 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.349 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.514 ' HE1' HD22 ' A' ' 69' ' ' LEU . 6.4 m-85 -61.67 -37.12 82.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -70.57 -43.44 69.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 18' ' ' ASP . 94.4 t -59.48 -56.13 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.3 mt -63.61 -33.19 75.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.27 47.05 3.92 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 m -131.32 165.54 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.86 178.08 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -57.12 -31.27 65.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 t -65.56 -22.14 66.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.48 130.32 42.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' GLN . 50.1 p -113.0 172.45 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 30' ' ' SER . 15.9 mm100 -36.94 -40.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.15 -63.9 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -51.44 -45.28 62.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.519 HG22 ' CD1' ' A' ' 66' ' ' TYR . 74.8 mt -59.92 -65.9 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -47.81 -38.87 16.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -69.53 -40.58 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.23 -38.78 82.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -60.77 -60.44 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -47.95 -59.0 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -48.16 -46.36 34.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mt -62.94 -41.76 99.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.08 92.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -66.84 -43.75 82.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.49 -54.21 11.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -82.54 17.21 1.84 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -61.79 132.51 93.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.81 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -29.39 24.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.728 2.285 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.45 -36.18 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -95.61 -30.17 13.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -77.82 131.76 37.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -101.27 -32.64 10.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.66 131.93 71.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.562 0.696 . . . . 0.0 110.903 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 117.74 5.26 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.752 2.301 . . . . 0.0 112.36 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 129.42 -38.91 1.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' GLY . . . -37.05 -39.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -52.73 -49.6 65.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.89 -57.87 3.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -57.58 -48.49 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.465 ' HA ' HD12 ' A' ' 62' ' ' ILE . 83.4 t80 -47.57 -44.97 26.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.0 mt -60.18 -48.12 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -61.31 -46.93 88.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 59' ' ' PHE . 79.6 mt -49.61 -47.37 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -69.61 -45.42 68.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.437 ' HA ' ' CD ' ' A' ' 67' ' ' GLU . 53.2 mmtt -63.12 -22.92 67.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.64 -34.39 27.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.562 ' CE1' ' HB3' ' A' ' 70' ' ' SER . 17.6 t80 -78.63 -49.69 12.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.437 ' CD ' ' HA ' ' A' ' 64' ' ' LYS . 13.9 pt-20 -42.76 -36.5 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.44 -57.46 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.514 HD22 ' HE1' ' A' ' 20' ' ' TYR . 24.0 mt -65.66 -57.92 6.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.562 ' HB3' ' CE1' ' A' ' 66' ' ' TYR . 60.7 p -34.56 -49.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -79.72 131.18 35.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -59.07 -54.14 50.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -49.51 -67.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -49.97 -49.92 48.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.4 ttp85 -48.38 -59.0 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 94.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.815 0.341 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.6 p90 -149.18 147.35 28.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.798 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.8 t70 -93.53 141.16 23.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.592 0.711 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 54.0 Cg_endo -69.77 -41.86 3.9 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.332 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -69.44 -42.62 74.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -63.66 -47.65 80.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 18' ' ' ASP . 99.2 t -59.59 -64.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.6 mt -53.38 -34.3 57.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.64 46.32 3.22 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.414 ' HB ' ' HB2' ' A' ' 29' ' ' ALA . 0.8 OUTLIER -131.05 177.33 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 111.114 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.446 ' HB3' HG22 ' A' ' 28' ' ' THR . 1.1 t -113.52 178.14 4.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.9 mmm-85 -63.84 -26.96 68.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.446 HG22 ' HB3' ' A' ' 26' ' ' SER . 9.0 t -76.64 -8.84 58.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.414 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . . . -60.33 123.46 17.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 32' ' ' ALA . 3.6 m -100.35 157.27 16.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 30' ' ' SER . 51.1 mm-40 -34.36 -33.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -70.53 -59.44 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.063 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.61 -43.57 80.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.4 mt -62.32 -54.8 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -51.88 -44.11 63.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -66.0 -37.23 85.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.69 -29.58 63.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -73.9 -65.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 43' ' ' ARG . 22.3 mttm -43.41 -44.45 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -59.64 4.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.6 mt -59.0 -57.9 11.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.5 -38.39 20.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 39' ' ' LYS . 79.7 mtt180 -65.55 -45.18 84.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -68.7 -54.92 13.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.409 ' CD1' ' CD1' ' A' ' 62' ' ' ILE . 79.7 m95 -78.9 8.22 5.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CE1' ' HB3' ' A' ' 48' ' ' ASP . 4.5 t-80 -54.23 125.2 49.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.605 0.716 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.411 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.9 Cg_endo -69.77 -1.04 7.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.497 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -77.88 -37.74 47.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -101.35 -29.94 11.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.464 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 30.3 m-20 -69.26 121.05 16.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -101.64 -33.16 10.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.24 141.68 76.85 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.0 5.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.356 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.14 -39.44 1.85 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.03 -36.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 111.091 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ASP . 24.3 tt0 -58.29 -63.73 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' GLU . 3.2 m-20 -36.75 -60.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -45.54 53.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -63.22 -32.86 74.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.6 mm -58.03 -37.76 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -77.37 -47.29 20.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.409 ' CD1' ' CD1' ' A' ' 45' ' ' TRP . 50.1 mt -54.69 -45.79 73.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 t -69.84 -44.86 69.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -61.67 -35.92 79.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.34 82.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.425 ' CD2' ' HB2' ' A' ' 70' ' ' SER . 16.8 t80 -67.38 -44.78 78.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -38.41 -40.07 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 34.1 mt -68.53 -58.27 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 70' ' ' SER . 32.0 mt -64.96 -60.82 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 69' ' ' LEU . 4.6 t -34.55 -48.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -84.14 130.81 34.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -64.19 -48.19 76.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -51.73 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -55.78 -51.78 66.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -47.24 -61.48 1.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 82.1 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.7 p90 -144.09 148.09 34.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.32 144.06 27.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.719 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -43.66 2.53 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.325 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -62.54 -37.45 86.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -68.44 -43.81 76.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.0 t -61.46 -53.89 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.569 HD13 HG23 ' A' ' 34' ' ' ILE . 59.6 mt -65.77 -34.47 78.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.54 44.98 3.56 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -136.25 165.39 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.108 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -111.73 174.25 5.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -51.95 -33.86 39.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.429 ' N ' ' HG2' ' A' ' 27' ' ' ARG . 24.1 p -59.64 -24.74 64.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' A' ' 33' ' ' ASP . . . -72.86 127.78 33.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' ALA . 8.0 m -107.35 169.86 8.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' SER . 0.9 OUTLIER -34.67 -33.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -68.38 -59.64 3.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.496 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 6.0 t0 -60.03 -44.42 94.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.569 HG23 HD13 ' A' ' 23' ' ' LEU . 32.7 mt -61.38 -49.37 84.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -56.09 -55.95 26.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -59.31 -39.46 83.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.99 -39.11 90.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -62.65 -58.98 5.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -59.55 2.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -42.33 -51.92 4.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mt -60.39 -56.99 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.49 -41.26 29.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.5 mtt85 -62.72 -45.14 94.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -68.73 -57.78 5.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.508 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 82.9 m95 -77.51 8.52 4.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.417 ' ND1' ' HD2' ' A' ' 47' ' ' PRO . 1.3 t-80 -51.97 115.84 7.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.521 ' HD3' ' CG ' ' A' ' 59' ' ' PHE . 53.4 Cg_endo -69.72 -8.2 23.0 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.742 2.295 . . . . 0.0 112.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -77.6 -37.29 50.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -99.27 -27.19 13.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.515 HD22 ' HB1' ' A' ' 55' ' ' ALA . 33.7 m-20 -73.47 132.27 42.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.38 -35.44 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -53.13 137.28 48.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 112.42 3.07 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.71 -40.24 1.64 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.515 ' HB1' HD22 ' A' ' 50' ' ' ASN . . . -40.05 -44.66 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -55.77 -45.18 78.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -49.63 -49.94 45.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.508 ' HG2' ' CD2' ' A' ' 45' ' ' TRP . 20.4 tpt85 -62.91 -44.59 95.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.582 ' HA ' HD12 ' A' ' 62' ' ' ILE . 46.1 t80 -53.66 -42.94 68.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.3 mt -56.63 -44.48 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.163 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -62.39 -51.71 66.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 59' ' ' PHE . 20.0 mt -50.81 -51.72 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -58.97 -46.06 89.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -60.04 -40.67 90.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.23 -51.65 69.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.52 ' CD1' HG22 ' A' ' 34' ' ' ILE . 12.2 t80 -66.09 -44.37 84.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -38.55 -47.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.29 -62.26 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' SER . 11.8 mt -61.24 -63.74 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.474 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 19.7 t -37.05 -49.42 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -76.98 128.03 33.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -61.86 -47.48 84.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -52.42 -61.45 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -56.08 -54.02 50.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -46.78 -57.4 4.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 5.0 p90 -151.29 150.18 30.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.724 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.3 m-20 -94.65 144.01 27.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 54.0 Cg_endo -69.79 -46.88 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -61.35 -41.74 97.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -65.46 -43.94 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 18' ' ' ASP . 54.2 t -58.09 -56.02 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.45 HD13 HG23 ' A' ' 34' ' ' ILE . 36.3 mt -65.47 -28.65 69.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.28 39.65 5.97 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -129.98 175.23 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 111.092 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -114.98 173.53 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.2 ptt-85 -56.32 -30.05 62.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.1 p -66.96 -20.78 65.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.64 129.55 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 32' ' ' ALA . 21.9 t -106.4 165.73 11.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' SER . 57.4 mm-40 -35.6 -34.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -67.42 -61.92 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -55.41 -42.79 74.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.475 HG22 ' CD1' ' A' ' 66' ' ' TYR . 33.2 mt -64.55 -55.24 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -55.81 -27.37 50.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -85.71 -36.13 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.26 -23.85 60.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.096 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.546 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 1.8 t80 -75.55 -66.96 0.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.546 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 18.4 mttt -45.55 -45.05 13.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.51 -57.5 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mt -61.36 -58.8 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.417 ' HB1' ' HE1' ' A' ' 59' ' ' PHE . . . -48.27 -28.38 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -79.07 -38.66 35.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -74.15 -53.71 9.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -80.56 10.48 4.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.508 ' CD2' ' HB2' ' A' ' 48' ' ' ASP . 6.4 t60 -59.43 135.16 88.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -34.82 13.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.284 . . . . 0.0 112.327 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.508 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 2.2 m-20 -56.44 -34.53 66.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -100.07 -30.11 12.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.404 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 2.0 m-80 -80.06 107.91 13.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -38.09 65.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -53.7 132.83 55.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.733 . . . . 0.0 110.854 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 118.47 5.7 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.12 -33.15 3.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.52 -36.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.723 0.297 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.55 -50.79 70.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -38.61 -56.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -56.5 -52.93 62.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.417 ' HE1' ' HB1' ' A' ' 42' ' ' ALA . 52.7 t80 -45.21 -43.43 10.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.3 mt -57.14 -51.32 70.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -59.53 -49.29 78.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 32.2 mt -53.83 -48.08 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 t -67.12 -45.71 76.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -58.57 -37.76 76.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.407 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -63.85 -47.86 79.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 9.3 t80 -65.81 -45.75 81.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -42.09 -32.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.7 mt -70.93 -64.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.3 mt -59.9 -53.86 52.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.541 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 23.0 t -34.86 -52.33 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -81.75 138.27 35.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -63.07 -59.92 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -47.22 -53.59 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -60.57 -36.78 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -66.68 -41.09 88.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.5 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.896 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.825 0.345 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.0 p90 -157.03 143.91 18.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.92 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.6 m-20 -94.9 143.37 26.03 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.606 0.717 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.548 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 53.8 Cg_endo -69.7 -48.32 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -62.2 -41.53 98.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -63.86 -40.49 96.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 18' ' ' ASP . 88.8 t -65.07 -53.06 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' A' ' 66' ' ' TYR . 90.6 mt -69.72 -15.45 63.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.04 44.45 54.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.497 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.42 168.7 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 111.144 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -116.96 178.07 4.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.466 ' H ' ' CD ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -63.19 -20.47 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.0 p -74.54 -16.62 60.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.97 126.83 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' GLN . 89.5 p -104.01 166.07 10.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.579 ' HA ' HD12 ' A' ' 34' ' ' ILE . 32.1 tp60 -37.03 -34.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.16 -58.5 4.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -59.85 -40.9 90.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 31' ' ' GLN . 27.4 mt -56.06 -48.63 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.3 tttt -57.42 -43.91 84.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -66.97 -31.98 72.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.99 -43.65 74.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.076 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -57.89 -62.32 1.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -38.05 -67.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -41.78 -57.77 2.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.473 HD23 ' CD1' ' A' ' 45' ' ' TRP . 8.8 mt -54.23 -37.28 64.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.08 -35.6 71.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -73.45 -42.24 62.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -74.0 -53.77 9.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.473 ' CD1' HD23 ' A' ' 41' ' ' LEU . 86.5 m95 -81.42 15.61 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.558 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.8 t-80 -61.02 134.88 93.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.562 0.696 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.558 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 54.0 Cg_endo -69.71 -32.99 17.7 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.47 -34.16 70.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -95.66 -30.04 13.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 1.5 m120 -79.87 119.52 22.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -97.91 -25.12 15.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.1 141.7 98.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.634 0.73 . . . . 0.0 110.871 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 116.51 4.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 57' ' ' ASP . . . 129.52 -41.57 1.53 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -36.98 -39.31 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.743 ' OE2' HD11 ' A' ' 60' ' ' ILE . 11.7 tm-20 -62.17 -45.91 91.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' GLY . 31.2 t0 -48.06 -53.21 17.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.1 tpp85 -64.93 -47.41 77.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -45.92 -35.8 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.743 HD11 ' OE2' ' A' ' 56' ' ' GLU . 64.1 mt -69.95 -47.3 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -58.82 -38.35 78.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.5 mt -61.01 -47.5 93.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 t -68.2 -43.14 78.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -60.36 -37.15 79.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.548 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -64.46 -57.73 8.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.517 ' CE1' HG22 ' A' ' 34' ' ' ILE . 13.4 t80 -56.65 -43.34 80.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -38.42 -51.08 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.7 mt -53.08 -51.0 42.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 70' ' ' SER . 7.8 mt -72.82 -64.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.471 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 8.7 t -34.33 -52.41 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -70.71 107.02 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -40.14 -60.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -46.29 -65.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -44.41 -49.57 9.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.946 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.3 ttp85 -57.09 -61.93 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 63.3 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 -179.913 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.842 0.353 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.519 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 2.5 p90 -140.63 144.78 35.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.588 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.2 m-20 -93.56 143.15 26.15 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -43.17 2.83 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.713 2.275 . . . . 0.0 112.315 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -64.51 -39.83 94.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -64.49 -44.87 89.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 18' ' ' ASP . 69.2 t -59.97 -56.99 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.493 HD13 HG23 ' A' ' 34' ' ' ILE . 62.9 mt -64.84 -41.25 95.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.9 47.16 2.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -125.35 174.46 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.605 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 2.9 m -125.7 174.45 8.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -45.43 -58.92 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.9 p -46.23 -22.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 26' ' ' SER . . . -72.68 116.79 13.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLN . 53.4 m -106.97 174.33 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' SER . 11.9 mm100 -34.62 -42.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.48 -63.58 1.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -52.26 -45.52 65.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.493 HG23 HD13 ' A' ' 23' ' ' LEU . 53.4 mt -54.83 -57.29 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.435 ' CG ' ' HE2' ' A' ' 39' ' ' LYS . 5.5 ttpm? -44.21 -63.26 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -50.07 -33.24 17.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 34' ' ' ILE . . . -67.5 -49.48 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 42' ' ' ALA . 17.9 t80 -56.48 -60.02 4.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.435 ' HE2' ' CG ' ' A' ' 35' ' ' LYS . 3.3 mptp? -36.49 -50.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -56.92 -57.82 10.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 15.9 mt -56.79 -59.04 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.416 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . . . -52.78 -34.61 54.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -73.15 -43.31 61.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -68.97 -58.39 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.56 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 64.6 m95 -78.66 10.63 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -54.39 120.04 23.98 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 0.96 4.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -89.18 -35.0 16.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -99.22 -29.93 12.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.519 ' OD1' ' HB1' ' A' ' 55' ' ' ALA . 1.5 m120 -68.13 133.86 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.97 -41.64 7.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -53.34 132.86 52.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.73 . . . . 0.0 110.848 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.6 3.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.38 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ASP . . . 132.66 -37.21 2.05 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.519 ' HB1' ' OD1' ' A' ' 50' ' ' ASN . . . -36.93 -40.39 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.724 0.297 . . . . 0.0 111.063 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -54.17 -47.85 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.45 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.1 t70 -43.01 -59.43 2.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.56 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 18.1 tpt180 -54.82 -48.73 72.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.688 ' HA ' HD12 ' A' ' 62' ' ' ILE . 3.7 t80 -49.05 -49.76 39.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 57' ' ' ASP . 60.7 mt -47.71 -44.12 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -60.82 -53.94 51.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 59' ' ' PHE . 17.9 mt -47.96 -49.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.7 t -61.17 -49.24 78.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -56.87 -40.15 75.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.48 -50.17 68.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 70' ' ' SER . 17.4 t80 -62.13 -48.07 81.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -38.42 -43.58 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.3 mt -57.41 -51.68 66.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' SER . 6.2 mt -75.56 -59.57 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 13.3 t -36.67 -44.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -74.58 120.87 20.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -56.34 -44.23 79.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.97 -61.59 1.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -50.11 -44.21 52.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.4 ttt-85 -58.07 -61.6 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 86.5 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.812 0.339 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.442 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 6.4 p90 -149.14 162.16 40.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.857 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.4 t70 -111.91 141.18 24.33 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.597 0.713 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.532 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 53.5 Cg_endo -69.76 -39.67 6.22 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.743 2.295 . . . . 0.0 112.339 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.457 ' CE1' HD21 ' A' ' 69' ' ' LEU . 13.0 m-85 -68.82 -47.67 65.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -60.82 -44.62 96.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.857 HG23 ' O ' ' A' ' 18' ' ' ASP . 95.5 t -63.56 -55.62 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.533 ' CD1' HG23 ' A' ' 34' ' ' ILE . 10.6 mt -58.36 -22.74 54.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.07 49.42 5.31 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.59 166.79 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 111.121 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -114.18 177.55 4.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -55.21 -30.92 60.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.3 p -64.75 -22.89 67.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.75 126.28 29.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' GLN . 7.1 m -106.29 163.89 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.943 ' HA ' HD12 ' A' ' 34' ' ' ILE . 7.5 mm100 -35.87 -35.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.04 -57.83 7.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.499 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 5.4 m-20 -59.61 -37.82 79.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.943 HD12 ' HA ' ' A' ' 31' ' ' GLN . 21.2 mt -56.44 -48.91 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -55.6 -54.51 43.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.499 ' CD ' ' HA ' ' A' ' 33' ' ' ASP . 13.3 ptmt -59.06 -48.66 80.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.39 -23.23 63.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.633 ' CD2' ' CD2' ' A' ' 66' ' ' TYR . 2.7 t80 -73.88 -68.02 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -48.08 -45.63 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -50.43 -55.59 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 23' ' ' LEU . 9.6 mt -60.84 -41.63 96.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.79 81.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 14.2 mtp-105 -76.89 -37.63 55.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -70.72 -57.37 4.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -83.52 12.73 5.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.506 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 5.2 t-80 -54.69 139.89 59.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.631 0.729 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.507 ' HD3' ' CG ' ' A' ' 59' ' ' PHE . 53.8 Cg_endo -69.79 -42.34 3.46 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.412 ' HB2' ' ND1' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -56.47 -31.44 64.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -92.77 -30.09 15.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.468 ' OD1' ' HB1' ' A' ' 55' ' ' ALA . 3.4 m120 -85.24 126.31 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -98.5 -32.6 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.15 139.64 64.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.631 0.729 . . . . 0.0 110.867 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 116.13 4.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 119.71 -38.97 2.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.468 ' HB1' ' OD1' ' A' ' 50' ' ' ASN . . . -36.97 -43.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.761 0.315 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -50.72 -45.11 58.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.71 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.7 m-20 -42.72 -54.69 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -54.19 -49.16 69.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.507 ' CG ' ' HD3' ' A' ' 47' ' ' PRO . 53.5 t80 -54.16 -42.01 69.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 57' ' ' ASP . 38.1 mt -58.39 -42.61 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -68.91 -52.17 32.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.476 HG21 ' HB3' ' A' ' 41' ' ' LEU . 32.9 mt -50.65 -46.89 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -63.22 -47.21 83.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -58.28 -37.85 75.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.532 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -60.0 -46.74 88.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.633 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 13.2 t80 -70.39 -42.81 71.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -41.7 -36.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.2 mt -73.27 -53.53 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.874 HD23 ' HD3' ' A' ' 75' ' ' ARG . 10.6 mt -66.48 -61.37 2.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 66' ' ' TYR . 59.9 p -41.48 -40.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -82.5 139.09 34.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -76.57 -50.47 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -52.77 -52.49 56.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -62.45 -62.45 1.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.874 ' HD3' HD23 ' A' ' 69' ' ' LEU . 26.8 tpt180 -47.07 -63.7 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 62.2 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.898 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.82 0.343 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 5.2 p90 -130.4 162.46 29.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 1.5 t70 -104.8 141.12 21.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.555 0.693 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.601 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 53.9 Cg_endo -69.71 -36.72 10.41 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -70.71 -39.82 73.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.957 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -66.41 -48.57 69.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 18' ' ' ASP . 69.1 t -59.58 -55.45 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.612 HD13 HG23 ' A' ' 34' ' ' ILE . 40.2 mt -60.21 -41.46 93.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.93 47.5 2.07 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.505 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.472 ' HB ' ' CB ' ' A' ' 29' ' ' ALA . 3.8 m -135.7 153.12 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -105.56 174.71 5.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -44.16 -53.45 6.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.3 m -43.4 -35.68 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.472 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . . . -66.97 122.78 18.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -102.02 177.19 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.598 ' HA ' HD12 ' A' ' 34' ' ' ILE . 9.2 tp-100 -43.03 -42.48 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.8 -62.24 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -54.14 -45.2 71.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.612 HG23 HD13 ' A' ' 23' ' ' LEU . 32.2 mt -54.31 -48.7 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.409 ' HG2' ' NZ ' ' A' ' 39' ' ' LYS . 3.0 ttmp? -51.52 -62.18 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -56.57 -43.79 80.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.86 82.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.453 ' HA ' HD22 ' A' ' 23' ' ' LEU . 2.4 t80 -57.22 -58.23 9.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.409 ' NZ ' ' HG2' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -49.14 -45.59 43.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -46.83 -59.16 3.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.467 ' HB3' HD13 ' A' ' 62' ' ' ILE . 13.3 mt -59.34 -55.63 32.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.12 -38.32 17.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -66.86 -44.46 80.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -68.64 -57.91 5.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.529 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 83.7 m95 -80.06 12.07 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.549 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.5 t-80 -52.66 117.39 10.76 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.6 0.714 . . . . 0.0 110.867 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.401 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.5 Cg_endo -69.84 -24.34 29.43 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.549 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 1.8 m-20 -67.66 -35.72 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -96.59 -29.93 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.476 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 1.4 m120 -71.68 107.96 4.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -73.55 -42.48 61.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.31 132.69 52.45 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.621 0.724 . . . . 0.0 110.855 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 118.48 5.71 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.24 . . . . 0.0 112.331 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.57 -36.55 2.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.87 -41.74 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.713 0.292 . . . . 0.0 111.068 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' ASP . 51.5 tt0 -52.71 -53.53 46.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.454 ' HA ' HD12 ' A' ' 60' ' ' ILE . 6.3 t70 -34.67 -57.93 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.529 ' HG2' ' CD2' ' A' ' 45' ' ' TRP . 5.8 tpt85 -57.64 -48.91 78.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.691 ' HA ' HD12 ' A' ' 62' ' ' ILE . 17.5 t80 -50.64 -50.94 53.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 57' ' ' ASP . 63.6 mt -45.97 -45.97 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.66 -49.07 78.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 59' ' ' PHE . 19.7 mt -54.37 -55.3 15.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -55.96 -49.98 72.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -59.16 -40.62 86.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.601 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -56.6 -55.81 29.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.546 ' CD1' HG22 ' A' ' 34' ' ' ILE . 15.0 t80 -63.57 -42.69 98.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -40.04 -43.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.9 mt -61.26 -55.05 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' SER . 23.3 mt -67.01 -61.52 1.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 9.8 t -35.81 -48.84 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -69.14 145.86 52.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 4.6 pt-20 -80.69 -38.23 29.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 24.1 mt-10 -66.72 -64.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -47.46 -54.69 10.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -51.85 -57.79 8.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 82.5 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.9 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.493 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 4.0 p90 -140.64 154.78 46.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.878 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.5 t70 -97.56 140.31 21.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.587 0.708 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 53.5 Cg_endo -69.8 -42.93 2.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.623 2.215 . . . . 0.0 112.356 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.501 ' HE1' HD21 ' A' ' 69' ' ' LEU . 5.1 m-85 -64.58 -43.32 94.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -64.15 -45.95 86.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 18' ' ' ASP . 94.6 t -57.25 -62.09 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.601 ' O ' HD11 ' A' ' 41' ' ' LEU . 82.9 mt -62.68 -43.28 99.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.97 45.87 2.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.414 ' HB ' ' CB ' ' A' ' 29' ' ' ALA . 0.8 OUTLIER -120.44 170.81 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 111.141 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.611 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 2.7 m -121.79 177.86 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -48.49 -58.93 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 t -46.89 -24.05 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 26' ' ' SER . . . -70.7 119.51 14.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 31' ' ' GLN . 2.7 m -112.19 173.99 6.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.654 ' HA ' HD12 ' A' ' 34' ' ' ILE . 6.6 tp-100 -34.32 -41.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.95 -64.56 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.168 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -56.93 -41.67 78.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 31' ' ' GLN . 38.4 mt -53.97 -66.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -44.29 -53.05 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -58.17 -37.6 75.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.27 -43.77 81.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -57.09 -60.5 3.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -40.29 -52.14 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -50.87 -57.04 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.601 HD11 ' O ' ' A' ' 23' ' ' LEU . 4.6 mt -56.67 -59.8 4.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.17 -39.73 30.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -64.68 -44.04 91.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -70.0 -57.83 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.45 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 74.5 m95 -79.22 11.54 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.3 t-80 -51.92 116.07 7.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.722 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.411 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.9 Cg_endo -69.78 -15.59 37.09 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.559 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -70.34 -38.54 74.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -97.2 -30.14 13.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.483 HD22 ' HB1' ' A' ' 55' ' ' ALA . 30.6 m-20 -69.77 140.4 53.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -112.95 -34.89 5.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.66 136.19 71.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.606 0.717 . . . . 0.0 110.88 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 104.57 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.639 2.226 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.35 -42.61 0.93 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.483 ' HB1' HD22 ' A' ' 50' ' ' ASN . . . -38.15 -43.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' ASP . 15.4 tt0 -55.27 -57.82 10.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.484 ' HA ' HD12 ' A' ' 60' ' ' ILE . 9.0 m-20 -34.79 -51.04 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HG2' ' CD2' ' A' ' 45' ' ' TRP . 11.6 tpt180 -66.12 -51.11 61.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.689 ' HA ' HD12 ' A' ' 62' ' ' ILE . 53.0 t80 -46.12 -45.1 16.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 57' ' ' ASP . 20.7 mt -56.39 -45.53 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -62.35 -46.95 86.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 59' ' ' PHE . 54.5 mt -50.58 -53.78 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.8 t -58.53 -46.58 86.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -57.52 -42.43 82.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.453 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -62.2 -56.72 15.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 9.5 t80 -58.01 -47.0 84.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.923 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -38.33 -46.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 78.2 mt -57.01 -53.32 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.501 HD21 ' HE1' ' A' ' 20' ' ' TYR . 8.9 mt -71.73 -62.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.554 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 4.4 t -34.38 -47.71 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -79.28 135.36 36.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -63.21 -59.28 4.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -47.22 -67.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -41.92 -60.58 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.3 ttp85 -43.17 -56.99 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 94.3 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.904 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 5.1 p90 -136.56 152.43 50.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.473 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.4 t70 -88.76 141.1 29.69 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 54.1 Cg_endo -69.7 -34.32 15.02 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.691 2.26 . . . . 0.0 112.411 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.425 ' CE2' HD21 ' A' ' 69' ' ' LEU . 33.8 m-85 -74.19 -27.92 61.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -78.64 -42.4 28.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 18' ' ' ASP . 69.1 t -63.8 -60.64 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.484 HD13 HG23 ' A' ' 34' ' ' ILE . 41.6 mt -58.71 -32.01 68.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.932 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.98 43.01 4.54 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -135.11 174.13 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 111.074 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.528 ' HB3' HG22 ' A' ' 28' ' ' THR . 1.1 t -120.36 176.33 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -55.9 -30.47 61.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 26' ' ' SER . 9.0 t -68.14 -18.63 64.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.78 120.31 20.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.061 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.8 m -97.22 172.07 8.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -40.2 -34.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.19 -67.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -55.35 -43.67 75.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.484 HG23 HD13 ' A' ' 23' ' ' LEU . 41.2 mt -59.63 -66.31 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -39.3 -45.46 1.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -64.6 -36.77 85.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' ILE . . . -71.11 -37.71 72.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.406 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 2.8 t80 -64.61 -64.15 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 17.7 mttt -48.17 -55.08 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -49.3 -48.4 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.42 -58.88 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.55 -42.68 34.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -66.26 -43.17 87.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -66.32 -59.86 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -77.74 8.95 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.425 ' CD2' ' HB3' ' A' ' 48' ' ' ASP . 13.5 t60 -53.84 123.72 40.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.427 ' HD3' ' CG ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.74 -32.53 18.45 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.425 ' HB3' ' CD2' ' A' ' 46' ' ' HIS . 4.2 t70 -54.43 -31.83 56.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -103.16 -30.05 10.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -67.78 139.86 56.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -102.55 -32.1 10.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -60.19 125.44 81.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.708 . . . . 0.0 110.846 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 104.32 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.727 2.285 . . . . 0.0 112.36 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.66 -34.82 2.0 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.537 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -37.72 -41.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ASP . 32.7 tt0 -42.38 -55.87 3.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' GLU . 37.0 t0 -35.24 -58.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -58.62 -54.93 41.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.904 ' HA ' HD12 ' A' ' 62' ' ' ILE . 12.3 t80 -44.56 -40.92 6.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 75.3 mt -60.48 -47.95 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.439 ' NE2' ' CE2' ' A' ' 17' ' ' PHE . 11.0 mm100 -56.66 -45.72 81.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' A' ' 59' ' ' PHE . 35.1 mt -49.16 -42.3 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -70.38 -42.26 71.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -60.76 -47.94 84.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.68 -49.93 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -66.45 -48.61 69.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -39.25 -42.3 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 29.4 mt -63.51 -58.28 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 70' ' ' SER . 11.4 mt -66.67 -61.47 1.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' LEU . 8.0 t -34.5 -52.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -77.62 127.94 33.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.16 -56.1 26.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -41.78 -60.32 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -58.3 9.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.1 ttt-85 -40.95 -59.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 91.4 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 -179.909 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.1 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.542 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 1.2 p90 -148.16 137.94 22.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.534 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.6 t70 -97.15 141.15 22.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.717 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.624 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 54.0 Cg_endo -69.74 -37.56 9.05 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.255 . . . . 0.0 112.365 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -69.46 -42.08 75.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.06 -43.83 90.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 18' ' ' ASP . 71.5 t -63.29 -48.03 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.502 HD13 HG23 ' A' ' 34' ' ' ILE . 42.4 mt -71.0 -27.61 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.2 46.14 5.67 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.439 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.08 160.98 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -109.49 171.67 7.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -52.92 -30.82 36.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 t -64.13 -23.99 67.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.31 131.94 43.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 32' ' ' ALA . 59.6 p -106.3 170.7 7.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.515 ' HA ' HD12 ' A' ' 34' ' ' ILE . 10.1 mm100 -40.51 -28.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -70.76 -61.43 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -55.74 -39.8 71.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 31' ' ' GLN . 28.9 mt -60.14 -58.72 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -50.31 -41.76 51.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -71.04 -34.55 71.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.44 77.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 39' ' ' LYS . 12.0 t80 -58.39 -64.29 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 38' ' ' TYR . 1.5 mptm? -34.35 -54.78 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.41 -57.32 10.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.436 HD23 ' CD1' ' A' ' 45' ' ' TRP . 4.9 mt -53.9 -46.1 71.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.22 86.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -70.13 -44.33 69.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -69.05 -57.65 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.591 ' CH2' ' NH1' ' A' ' 58' ' ' ARG . 80.7 m95 -79.79 10.75 3.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.433 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -51.98 107.29 0.8 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.57 0.7 . . . . 0.0 110.886 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.591 ' HD3' ' CD1' ' A' ' 59' ' ' PHE . 53.9 Cg_endo -69.72 -28.95 24.82 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -57.63 -28.83 64.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.96 -29.51 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -59.83 151.8 24.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -117.03 -31.19 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.13 134.6 95.87 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 110.852 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 110.84 2.67 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 138.04 -39.53 1.58 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 54' ' ' GLY . . . -36.92 -46.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 111.097 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -50.87 -47.79 60.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' HA ' HD12 ' A' ' 60' ' ' ILE . 36.3 t70 -42.77 -51.45 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.591 ' NH1' ' CH2' ' A' ' 45' ' ' TRP . 13.7 tpp85 -64.89 -48.29 74.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.591 ' CD1' ' HD3' ' A' ' 47' ' ' PRO . 37.8 t80 -46.39 -46.6 18.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 57' ' ' ASP . 30.5 mt -54.21 -50.85 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 64' ' ' LYS . 76.4 mt-30 -60.82 -59.27 5.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.9 mt -41.04 -43.39 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 t -74.68 -34.55 62.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLN . 56.8 mmtt -75.15 -17.02 60.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.624 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -88.69 -39.68 13.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.057 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -77.16 -42.43 37.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -45.77 -29.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 75' ' ' ARG . 82.8 mt -74.06 -48.38 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' SER . 11.2 mt -76.99 -58.02 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' LEU . 11.0 t -35.04 -50.88 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -78.45 123.36 26.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.421 ' CD ' ' HG3' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -58.39 -41.34 84.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.421 ' HG3' ' CD ' ' A' ' 72' ' ' GLU . 25.6 mt-10 -67.31 -56.55 9.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -53.72 -47.22 70.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' ILE . 33.2 ttp180 -52.45 -53.96 38.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.877 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.887 0.375 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.459 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 6.0 p90 -138.63 144.2 39.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.838 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.6 t70 -89.65 138.35 28.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.851 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.463 ' HB2' HD21 ' A' ' 69' ' ' LEU . 53.9 Cg_endo -69.75 -37.36 9.29 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.651 2.234 . . . . 0.0 112.357 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -69.97 -38.05 75.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.7 mmm-85 -69.58 -47.28 64.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 18' ' ' ASP . 84.9 t -53.33 -57.21 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.502 ' CD1' HD12 ' A' ' 69' ' ' LEU . 70.9 mt -62.07 -27.96 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.19 45.31 5.94 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.468 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.36 176.83 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.01 178.28 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -63.66 -30.21 71.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.9 p -72.53 -14.5 61.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.16 126.36 25.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' ALA . 1.5 t -107.39 157.81 17.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' SER . 11.1 mm100 -34.15 -34.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -70.35 -57.66 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -42.72 82.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.421 HG23 HD13 ' A' ' 23' ' ' LEU . 48.3 mt -56.44 -57.82 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -50.03 -42.32 49.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -68.38 -39.57 81.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.63 -36.09 80.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.434 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 1.7 t80 -65.57 -60.49 2.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 22.6 mttt -44.85 -40.63 6.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -57.86 -64.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mt -52.31 -38.85 59.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.62 83.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -70.09 -44.99 67.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -70.63 -54.98 9.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.585 ' CH2' ' CZ ' ' A' ' 58' ' ' ARG . 84.8 m95 -80.91 12.84 2.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.9 t-80 -55.97 120.42 33.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.575 ' HD3' ' CD2' ' A' ' 59' ' ' PHE . 53.8 Cg_endo -69.74 -20.05 35.43 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.369 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.453 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 0.9 OUTLIER -70.57 -37.51 73.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -95.22 -30.06 14.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -71.37 125.76 27.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -99.26 -37.61 9.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.01 139.2 71.58 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 117.65 5.21 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.11 -40.98 1.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -37.18 -40.91 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.704 0.288 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 57' ' ' ASP . 32.4 tt0 -56.19 -54.84 40.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' GLU . 12.2 t70 -37.51 -57.9 0.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.585 ' CZ ' ' CH2' ' A' ' 45' ' ' TRP . 7.8 tpp85 -58.58 -47.84 82.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.811 ' HA ' HD12 ' A' ' 62' ' ' ILE . 10.7 t80 -48.67 -44.31 37.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.0 mt -54.44 -49.43 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -59.04 -47.87 83.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.811 HD12 ' HA ' ' A' ' 59' ' ' PHE . 20.9 mt -51.97 -51.23 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -63.1 -49.4 74.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -55.52 -41.77 73.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.417 ' HB2' HG11 ' A' ' 22' ' ' VAL . . . -59.33 -57.04 14.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.51 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 11.3 t80 -59.83 -45.69 91.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -39.48 -45.75 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 75' ' ' ARG . 52.2 mt -62.11 -47.37 93.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.502 HD12 ' CD1' ' A' ' 23' ' ' LEU . 11.4 mt -75.15 -65.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.51 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 3.1 t -37.97 -42.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -77.28 120.93 23.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.1 -40.63 81.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -63.8 -61.82 2.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -54.81 -47.68 73.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' ILE . 13.4 ttp180 -54.8 -57.48 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 56.2 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 -179.928 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.857 0.36 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.518 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 3.0 p90 -149.07 146.31 27.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.8 t70 -86.92 141.22 33.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 0.0 110.848 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.572 ' HB2' HD11 ' A' ' 69' ' ' LEU . 53.4 Cg_endo -69.79 -29.49 23.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -77.94 -39.06 43.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mmt85 -67.21 -46.19 74.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.831 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 18' ' ' ASP . 76.3 t -61.03 -58.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.557 ' O ' HD11 ' A' ' 41' ' ' LEU . 46.1 mt -62.83 -38.05 89.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.03 43.98 3.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.19 156.52 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.34 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 p -99.17 175.22 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -62.42 -29.17 70.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.6 p -82.78 -13.07 56.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.03 119.49 14.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' ASP . 2.7 m -101.49 170.78 7.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' SER . 0.9 OUTLIER -34.86 -57.45 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.56 -43.1 11.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' SER . 6.4 m-20 -71.84 -42.97 66.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 37' ' ' ALA . 58.0 mt -60.0 -61.1 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -39.91 -36.99 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -77.0 -37.11 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 34' ' ' ILE . . . -68.6 -32.92 73.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.401 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 2.6 t80 -73.88 -63.06 1.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 15.9 mttm -47.23 -43.09 21.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -58.13 -61.43 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.557 HD11 ' O ' ' A' ' 23' ' ' LEU . 9.5 mt -55.16 -40.49 70.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.95 78.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -74.19 -44.25 54.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.09 -54.83 7.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.461 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 72.1 m95 -76.79 7.57 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.586 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.7 t-160 -54.66 131.27 64.72 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.589 0.709 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.586 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 54.2 Cg_endo -69.7 -20.88 34.54 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.735 2.29 . . . . 0.0 112.364 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.419 ' HB3' ' ND1' ' A' ' 46' ' ' HIS . 1.0 OUTLIER -59.72 -46.27 89.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -90.67 -30.05 17.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 1.7 m120 -74.27 118.06 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -97.04 -36.47 10.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.96 140.54 61.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.599 0.714 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 116.04 4.38 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.651 2.234 . . . . 0.0 112.311 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' GLU . . . 131.86 -44.44 1.2 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.52 -31.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.737 0.303 . . . . 0.0 111.103 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' GLY . 42.8 tt0 -65.09 -55.42 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -35.91 -59.3 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 11.2 tpt180 -54.03 -53.86 47.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.554 ' HA ' HD12 ' A' ' 62' ' ' ILE . 38.9 t80 -46.43 -49.75 17.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.409 HG22 ' HD2' ' A' ' 64' ' ' LYS . 74.7 mt -49.62 -45.58 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -66.44 -57.93 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 59' ' ' PHE . 19.0 mt -41.3 -42.2 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -70.47 -41.74 72.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HD2' HG22 ' A' ' 60' ' ' ILE . 32.2 mtpt -62.57 -45.03 94.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.44 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -54.95 -46.95 75.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' A' ' 70' ' ' SER . 11.1 t80 -66.37 -49.14 67.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -38.82 -40.36 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.407 ' N ' ' HZ3' ' A' ' 74' ' ' LYS . 57.1 mt -68.31 -55.02 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.186 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' A' ' 19' ' ' PRO . 23.9 mt -69.64 -61.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.528 ' HB3' ' CE1' ' A' ' 66' ' ' TYR . 86.5 p -35.86 -38.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -80.68 144.6 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -79.86 -43.57 22.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.62 -53.27 57.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.407 ' HZ3' ' N ' ' A' ' 68' ' ' ILE . 38.6 mtpt -59.22 -61.72 2.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -43.43 -54.46 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.0 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.891 0.377 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.514 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 2.6 p90 -137.57 143.22 41.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.757 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -98.7 144.09 27.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -46.87 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -59.8 -44.36 94.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -65.89 -45.39 82.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 18' ' ' ASP . 47.6 t -55.71 -51.62 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.429 ' O ' HD11 ' A' ' 41' ' ' LEU . 80.7 mt -71.67 -29.64 64.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.39 41.0 5.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -123.69 162.36 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 111.101 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -111.56 175.15 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.806 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.4 ptt-85 -50.74 -45.04 58.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 t -52.87 -29.06 25.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.45 130.25 42.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 32' ' ' ALA . 29.7 m -115.55 172.23 7.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 30' ' ' SER . 17.6 mm100 -36.5 -32.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -68.34 -65.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -56.28 -40.39 74.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.8 mt -59.35 -60.06 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -52.07 -46.49 65.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -67.2 -29.74 69.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.71 -41.91 61.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' LYS . 10.1 t80 -59.47 -60.94 3.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' TYR . 1.5 mptm? -36.63 -58.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -46.76 -55.24 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.429 HD11 ' O ' ' A' ' 23' ' ' LEU . 9.1 mt -57.53 -46.29 84.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.33 78.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -72.11 -42.78 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -69.83 -57.43 5.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -83.03 16.38 2.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 48' ' ' ASP . 7.2 t60 -54.59 126.22 55.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.561 0.696 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.582 ' HD3' ' CD1' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.74 -28.06 25.83 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.584 ' HB3' ' CD2' ' A' ' 46' ' ' HIS . 34.4 t70 -65.74 -34.49 78.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -93.66 -30.05 15.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.475 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 35.9 m-20 -80.11 110.49 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.44 ' HE2' ' C ' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -88.48 -24.24 23.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.87 141.14 98.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.575 0.703 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 118.03 5.44 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.378 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.07 -45.5 1.14 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.26 -41.34 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.757 0.313 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -55.55 -55.02 36.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.518 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.9 t70 -40.88 -61.32 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -53.7 -47.75 70.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.582 ' CD1' ' HD3' ' A' ' 47' ' ' PRO . 31.9 t80 -50.82 -43.07 58.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 57' ' ' ASP . 53.1 mt -56.88 -40.21 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -64.5 -44.63 90.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 59' ' ' PHE . 22.3 mt -58.78 -47.22 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 t -66.69 -45.57 78.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -63.79 -33.77 76.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.421 ' HB2' HG11 ' A' ' 22' ' ' VAL . . . -68.61 -55.44 11.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 9.8 t80 -61.87 -43.26 99.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -39.76 -47.26 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.7 mt -57.43 -57.47 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 70' ' ' SER . 9.9 mt -65.67 -63.25 1.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.558 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 9.4 t -34.8 -42.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.481 ' CB ' ' HD3' ' A' ' 74' ' ' LYS . 4.6 m120 -79.49 131.65 36.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -59.49 -59.23 5.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -50.52 -65.66 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.481 ' HD3' ' CB ' ' A' ' 71' ' ' ASN . 6.9 mptt -47.37 -54.65 10.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.9 ttp85 -42.44 -54.19 3.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 83.1 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 t70 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.83 0.347 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 3.8 p90 -141.64 144.2 34.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.715 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.7 m-20 -92.76 142.08 25.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.628 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 54.0 Cg_endo -69.72 -42.71 3.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.638 2.226 . . . . 0.0 112.374 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -62.86 -40.06 96.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 12.0 mtp-105 -69.85 -46.34 65.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 18' ' ' ASP . 93.7 t -61.11 -57.09 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.687 HD12 ' CD1' ' A' ' 69' ' ' LEU . 83.3 mt -62.43 -38.81 91.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.96 44.17 3.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.401 ' HB ' ' CB ' ' A' ' 29' ' ' ALA . 3.6 m -127.66 159.86 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 111.098 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 m -115.36 174.83 5.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -44.33 -52.59 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.1 p -45.68 -34.53 3.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.401 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . . . -65.98 124.25 22.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 p -106.54 174.2 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.796 ' HA ' HD12 ' A' ' 34' ' ' ILE . 7.2 tp60 -38.43 -42.99 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.2 -61.53 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.14 -46.82 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.796 HD12 ' HA ' ' A' ' 31' ' ' GLN . 28.0 mt -49.42 -54.62 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.203 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.419 ' CG ' ' HE3' ' A' ' 39' ' ' LYS . 11.9 ttpp -56.31 -45.04 80.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.3 mmmt -62.16 -36.66 82.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.64 -44.21 67.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 39' ' ' LYS . 18.6 t80 -57.1 -65.0 0.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 38' ' ' TYR . 2.3 mptm? -34.45 -62.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -43.16 -52.98 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 mt -57.95 -39.07 77.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.02 84.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.1 -47.25 62.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.78 -50.58 62.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.561 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 90.2 m95 -88.44 11.95 15.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -51.99 110.56 1.93 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 -31.62 20.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.238 . . . . 0.0 112.378 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.38 -30.56 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -106.16 -27.88 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -62.43 139.71 58.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -104.7 -27.32 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.35 133.63 95.72 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 104.41 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 143.27 -32.21 1.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' GLY . . . -37.12 -40.79 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.751 0.31 . . . . 0.0 111.077 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' ASP . 10.4 tt0 -53.33 -64.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' GLU . 21.5 t0 -36.85 -62.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.561 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 4.9 tpt180 -43.63 -52.77 6.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.761 ' HA ' HD12 ' A' ' 62' ' ' ILE . 11.1 t80 -57.26 -43.32 82.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 mm -47.41 -39.12 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.195 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -74.37 -47.16 35.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.761 HD12 ' HA ' ' A' ' 59' ' ' PHE . 24.1 mt -53.01 -46.71 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t -66.81 -45.33 78.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -59.04 -43.95 91.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.628 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -61.57 -52.51 64.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.462 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 12.9 t80 -61.07 -42.09 97.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -40.01 -47.29 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.8 -55.83 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.687 ' CD1' HD12 ' A' ' 23' ' ' LEU . 3.6 mt -63.75 -65.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.462 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 7.7 t -37.4 -39.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -75.13 125.28 28.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -61.34 -45.38 94.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.65 -61.1 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -51.26 -49.29 61.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.0 ttp85 -53.61 -61.94 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 36.4 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 t70 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 4.2 p90 -120.68 155.06 34.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.583 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.2 m-20 -87.86 142.29 32.24 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.609 0.719 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -43.13 2.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.32 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -62.15 -38.42 88.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -69.0 -44.47 72.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 18' ' ' ASP . 91.5 t -66.9 -47.47 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.78 HD12 HD12 ' A' ' 69' ' ' LEU . 9.7 mt -74.48 -34.13 63.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.35 58.21 2.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.523 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.17 157.68 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.125 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 p -95.72 178.06 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 mtm-85 -66.78 -28.97 68.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.4 p -84.98 -10.14 57.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.07 112.56 9.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' ASP . 51.9 p -97.51 171.97 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.703 ' HA ' HD12 ' A' ' 34' ' ' ILE . 11.7 mm100 -34.38 -57.34 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.18 -41.95 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' SER . 1.2 m-20 -75.21 -37.88 60.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 31' ' ' GLN . 30.4 mt -62.47 -60.24 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -37.4 -52.93 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -59.7 -38.08 80.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' ILE . . . -67.14 -42.69 83.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -65.21 -55.74 16.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -54.15 -52.31 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.9 tttp -49.9 -42.77 48.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mt -71.37 -46.08 61.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.945 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.31 -34.86 71.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -71.59 -40.69 69.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -70.17 -58.76 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.56 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 83.5 m95 -80.19 11.69 3.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.409 ' ND1' ' HD2' ' A' ' 47' ' ' PRO . 0.5 OUTLIER -53.09 115.26 7.16 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.574 0.702 . . . . 0.0 110.853 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.409 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.9 Cg_endo -69.74 -17.13 37.81 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.2 -39.47 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -96.82 -29.83 13.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -73.9 134.18 43.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -104.99 -32.58 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.78 142.22 44.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 0.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 117.85 5.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 127.13 -36.08 2.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' GLY . . . -37.07 -39.27 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 0.0 111.089 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ASP . 22.3 tt0 -61.1 -64.36 0.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' GLU . 3.2 t0 -37.55 -60.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.56 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 9.1 tpt85 -51.26 -46.37 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.48 ' HA ' HD12 ' A' ' 62' ' ' ILE . 28.3 t80 -60.62 -33.55 72.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.569 HG22 ' NZ ' ' A' ' 64' ' ' LYS . 5.2 mm -57.42 -41.49 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' LYS . 27.4 mt-30 -70.78 -60.22 2.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 59' ' ' PHE . 23.2 mt -38.47 -40.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -73.83 -39.57 63.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.569 ' NZ ' HG22 ' A' ' 60' ' ' ILE . 25.4 mtmm -70.91 -15.81 62.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.92 -27.73 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' A' ' 70' ' ' SER . 10.0 t80 -85.34 -46.49 10.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.412 ' CD ' ' HA ' ' A' ' 64' ' ' LYS . 13.3 pt-20 -40.49 -33.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 40.8 mt -72.82 -50.64 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.78 HD12 HD12 ' A' ' 23' ' ' LEU . 15.8 mt -76.38 -59.04 2.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.946 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.535 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 32.3 t -34.56 -51.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -70.68 132.77 45.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -65.57 -39.39 91.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.54 -68.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -46.29 -44.93 16.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -56.96 -58.01 10.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 60.3 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 -179.907 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -42.23 -55.21 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.1 p -166.47 162.21 16.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.71 104.29 0.18 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.441 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -166.92 155.57 10.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -147.37 152.2 37.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.01 47.71 0.47 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.534 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.531 HG23 ' O ' ' A' ' 8' ' ' ILE . 1.6 tp -63.67 110.99 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 111.125 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.3 mt -153.21 119.1 5.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -77.82 166.47 22.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -152.99 164.99 36.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.84 119.82 5.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.8 m -89.54 152.34 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.96 -37.29 16.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' ASP . 1.2 pt? -124.44 171.89 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' LEU . 65.9 m-20 -35.0 -51.7 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.534 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 2.5 p90 -151.22 143.03 23.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.822 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -87.62 142.98 33.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.845 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.535 ' CE2' HD21 ' A' ' 69' ' ' LEU . 58.9 m-85 -55.84 -42.79 76.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.1 mmt-85 -64.93 -39.9 94.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 18' ' ' ASP . 74.5 t -64.0 -57.86 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.52 HD13 HG23 ' A' ' 34' ' ' ILE . 42.5 mt -61.85 -33.61 74.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.34 42.08 3.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -133.52 169.11 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.318 . . . . 0.0 111.182 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -115.87 176.19 5.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -53.0 -37.4 61.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.4 m -58.11 -24.72 59.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.69 128.31 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' ALA . 3.5 m -106.79 169.06 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' SER . 12.0 mm-40 -35.61 -33.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -68.61 -61.11 1.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -56.68 -46.06 81.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.52 HG23 HD13 ' A' ' 23' ' ' LEU . 35.1 mt -61.56 -49.8 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 2.0 tmmm? -54.0 -61.06 2.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 35' ' ' LYS . 49.4 tttt -52.47 -42.5 64.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.72 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.404 ' CG ' ' CD2' ' A' ' 66' ' ' TYR . 2.9 t80 -66.92 -63.42 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -53.32 -42.94 67.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -58.78 -42.87 90.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.636 HD23 ' CD1' ' A' ' 45' ' ' TRP . 7.2 mt -72.87 -38.7 66.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.75 -37.33 82.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.5 mtp85 -74.74 -44.51 49.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -69.94 -53.21 18.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.636 ' CD1' HD23 ' A' ' 41' ' ' LEU . 79.2 m95 -84.05 14.46 4.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.586 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.8 t-80 -58.68 137.01 86.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.586 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 53.7 Cg_endo -69.7 -16.87 38.0 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.25 -43.47 92.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.62 -30.03 13.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.435 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 38.9 m-20 -72.39 124.46 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -111.07 -30.75 7.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.13 144.21 50.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 116.94 4.79 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.0 -36.86 2.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -40.75 -56.54 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.777 0.322 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 57' ' ' ASP . 5.0 mp0 -42.21 -60.34 1.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' GLU . 8.2 t70 -36.16 -59.15 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -50.17 -54.53 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -51.8 -56.99 10.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 57' ' ' ASP . 41.1 mt -44.72 -41.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -73.08 -55.57 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.447 HD13 ' HB3' ' A' ' 41' ' ' LEU . 62.4 mt -42.25 -45.14 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 t -64.87 -41.24 95.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -63.73 -46.71 84.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.1 -48.66 61.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.547 ' CD1' ' HB2' ' A' ' 70' ' ' SER . 11.0 t80 -69.76 -44.02 71.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -39.38 -41.46 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.6 mt -67.63 -64.26 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.535 HD21 ' CE2' ' A' ' 20' ' ' TYR . 14.0 mt -60.17 -60.94 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.547 ' HB2' ' CD1' ' A' ' 66' ' ' TYR . 8.6 t -34.57 -50.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -71.76 132.63 44.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -65.45 -51.1 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -57.98 -50.32 73.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -60.83 -48.74 80.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.8 ttp85 -55.08 -58.5 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' ASN . 87.8 m -48.54 -56.5 8.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 76' ' ' THR . 68.3 m-20 -38.0 -58.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -47.13 -55.13 8.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -50.5 -51.99 42.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -48.6 -45.37 38.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -70.7 -21.49 62.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.38 38.15 68.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.1 t 57.24 42.65 24.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.884 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -122.72 -170.56 13.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.446 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 131.27 20.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.1 t -66.73 143.16 57.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.3 m -48.42 -51.34 27.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.9 p -140.88 146.46 37.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.85 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -142.49 151.52 41.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.97 46.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -142.97 139.12 30.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 m -114.5 139.53 49.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.29 116.33 4.12 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.599 HG22 ' O ' ' A' ' 8' ' ' ILE . 50.0 mm -90.52 -1.65 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.868 0.366 . . . . 0.0 111.089 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.803 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -117.7 172.42 7.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -146.91 105.64 3.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.5 m -91.43 111.94 23.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 13' ' ' SER . 2.5 pp -163.32 164.79 24.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.425 ' N ' HD12 ' A' ' 12' ' ' LEU . 3.2 p -129.79 168.29 16.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -160.15 174.11 14.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.423 HD11 ' O ' ' A' ' 17' ' ' PHE . 1.3 pt? -83.87 177.91 8.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -45.72 -62.18 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.515 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 3.4 p90 -143.33 148.18 35.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.547 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.5 t70 -101.36 141.23 22.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.524 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 54.3 Cg_endo -69.7 -35.17 13.32 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -73.3 -41.73 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.8 mtt-85 -68.55 -40.56 80.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 18' ' ' ASP . 42.7 t -64.77 -58.19 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.6 ' O ' HD11 ' A' ' 41' ' ' LEU . 44.4 mt -62.33 -34.0 75.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.47 48.69 3.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -130.79 159.61 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -109.21 174.1 6.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -50.53 -37.42 39.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 t -57.85 -26.26 61.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.12 134.41 46.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 32' ' ' ALA . 9.3 m -119.06 174.21 6.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -38.15 -30.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -72.31 -61.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -57.69 -37.35 73.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.522 HG22 ' CE1' ' A' ' 66' ' ' TYR . 47.9 mt -63.71 -54.78 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -57.9 -34.49 69.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -75.75 -41.45 53.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.59 86.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.561 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 1.6 t80 -58.78 -67.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.944 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 53.2 mttt -38.19 -59.33 0.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 40' ' ' LYS . 8.2 mptt -45.28 -60.29 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.6 HD11 ' O ' ' A' ' 23' ' ' LEU . 6.0 mt -47.07 -53.24 13.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.47 -35.75 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -67.45 -41.19 85.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.96 -55.93 5.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -77.44 8.41 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -53.73 132.52 56.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.539 0.685 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -32.71 18.0 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.679 2.253 . . . . 0.0 112.369 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -53.94 -42.13 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -89.19 -29.89 18.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.606 ' ND2' ' HB1' ' A' ' 55' ' ' ALA . 32.4 m-20 -81.09 132.02 35.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -111.4 -36.94 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -53.75 144.31 35.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 116.14 4.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 129.48 -43.8 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.606 ' HB1' ' ND2' ' A' ' 50' ' ' ASN . . . -37.07 -46.59 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -55.61 -48.69 74.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -44.25 -61.3 1.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -51.27 -55.36 18.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.777 ' HA ' HD12 ' A' ' 62' ' ' ILE . 36.4 t80 -42.8 -43.8 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.6 mt -58.6 -46.72 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -58.1 -45.34 87.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 59' ' ' PHE . 41.0 mt -52.03 -54.44 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.177 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 t -59.31 -51.32 70.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -54.85 -39.25 68.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.524 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -63.63 -44.91 92.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 70' ' ' SER . 13.9 t80 -66.18 -42.84 88.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -39.28 -51.26 2.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.9 mt -49.45 -54.06 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.431 HD13 HG21 ' A' ' 34' ' ' ILE . 4.8 mt -72.05 -62.77 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 66' ' ' TYR . 46.0 p -41.84 -25.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.816 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' LEU . 19.2 t-20 -90.07 131.59 35.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -62.98 -55.55 24.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -51.13 -67.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -45.89 -60.0 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -52.75 -36.46 57.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.3 m -67.46 -46.91 71.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -58.36 -48.9 79.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.71 -54.11 42.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -61.27 -53.93 50.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.11 -39.06 63.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -68.5 -14.57 63.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.31 38.49 81.37 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.3 m 57.32 37.75 28.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.88 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.31 146.67 47.93 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.59 3.39 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t 67.54 43.07 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.1 p -96.29 -24.08 16.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 3' ' ' SER . 22.4 t 56.0 42.72 28.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.892 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 2' ' ' SER . 32.3 t -37.43 -45.14 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.2 -155.55 0.6 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 p -167.72 157.89 10.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.882 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -154.25 155.32 35.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.58 38.26 1.81 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.408 HD12 ' C ' ' A' ' 8' ' ' ILE . 2.6 pp -84.06 175.54 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 111.137 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.692 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -138.82 151.76 47.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' SER . 3.5 pm0 -114.45 -30.74 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' GLN . 58.2 m -35.35 -46.31 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.408 ' H ' HD23 ' A' ' 9' ' ' LEU . 19.1 tp -113.56 135.53 53.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.3 m -139.9 113.98 8.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.25 -30.71 62.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.641 HD11 ' O ' ' A' ' 17' ' ' PHE . 1.1 pt? -158.36 169.72 23.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -41.49 -61.54 1.04 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.641 ' O ' HD11 ' A' ' 15' ' ' LEU . 7.5 p90 -137.09 158.32 44.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.644 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -93.81 141.66 24.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.639 0.733 . . . . 0.0 110.833 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.83 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.475 ' CE1' HD21 ' A' ' 69' ' ' LEU . 68.2 m-85 -56.96 -36.41 70.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -71.42 -40.41 70.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.666 HG11 ' HB2' ' A' ' 65' ' ' ALA . 51.1 t -63.1 -57.26 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 66' ' ' TYR . 35.3 mt -58.95 -33.9 71.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.58 35.55 4.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -122.87 163.43 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 111.136 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 1.8 m -115.2 168.52 9.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -40.87 -55.02 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.6 t -43.83 -35.85 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 26' ' ' SER . . . -62.58 128.87 38.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' GLN . 4.0 t -109.71 174.05 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.769 ' HA ' HD12 ' A' ' 34' ' ' ILE . 4.3 mm100 -36.32 -63.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.44 -60.93 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.436 ' OD1' ' C ' ' A' ' 33' ' ' ASP . 3.5 t0 -52.7 -46.92 67.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.769 HD12 ' HA ' ' A' ' 31' ' ' GLN . 55.7 mt -51.69 -65.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -40.87 -49.38 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -62.95 -37.81 88.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.6 82.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.543 ' CG ' ' CD2' ' A' ' 66' ' ' TYR . 17.6 t80 -60.52 -67.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -36.58 -59.28 0.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 40' ' ' LYS . 8.6 tmtt? -44.4 -52.0 8.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.459 HD23 ' CD1' ' A' ' 45' ' ' TRP . 10.7 mt -65.64 -35.34 80.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.31 71.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -77.5 -43.81 30.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.27 -53.62 13.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.459 ' CD1' HD23 ' A' ' 41' ' ' LEU . 76.5 m95 -83.17 12.78 4.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.432 ' ND1' ' HB2' ' A' ' 48' ' ' ASP . 1.7 t-160 -56.28 125.75 66.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.85 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 54.2 Cg_endo -69.72 -26.28 27.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.432 ' HB2' ' ND1' ' A' ' 46' ' ' HIS . 4.3 m-20 -62.08 -36.59 82.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -96.6 -29.99 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.475 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 1.3 m120 -74.4 118.68 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -99.17 -34.68 10.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -56.21 141.53 69.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.627 0.727 . . . . 0.0 110.834 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.02 5.43 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.06 -40.25 1.67 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -43.31 -42.41 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.724 0.297 . . . . 0.0 111.084 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -57.64 -55.22 37.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.444 ' HA ' HD12 ' A' ' 60' ' ' ILE . 18.1 t0 -42.4 -58.55 2.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -57.12 -47.66 80.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.413 ' CD1' ' HD3' ' A' ' 47' ' ' PRO . 72.4 t80 -47.29 -48.54 24.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 57' ' ' ASP . 34.8 mt -51.79 -48.43 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.41 ' OE1' ' CE2' ' A' ' 17' ' ' PHE . 12.2 mm100 -58.66 -48.59 80.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.6 mt -54.41 -53.75 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 t -62.23 -47.14 85.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -61.73 -29.5 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.666 ' HB2' HG11 ' A' ' 22' ' ' VAL . . . -72.14 -51.0 23.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.702 ' HB2' HD21 ' A' ' 23' ' ' LEU . 9.4 t80 -67.39 -44.25 79.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -38.52 -45.33 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 75.6 mt -55.35 -66.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.475 HD21 ' CE1' ' A' ' 20' ' ' TYR . 33.5 mt -56.53 -54.69 42.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 69' ' ' LEU . 22.2 t -34.25 -49.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 73' ' ' GLU . 20.5 t-20 -72.35 123.59 23.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 7.6 pt-20 -56.82 -37.19 70.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.469 ' N ' ' OD1' ' A' ' 71' ' ' ASN . 2.8 tt0 -71.19 -67.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.417 ' HE2' ' CB ' ' A' ' 71' ' ' ASN . 36.4 mtmt -45.23 -43.36 10.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.9 ttt-85 -57.91 -62.74 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 31.9 m -50.8 -48.47 59.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -43.69 -57.39 3.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -47.16 -64.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -48.7 -48.19 40.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -56.04 -31.03 62.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -73.4 -21.24 60.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.93 37.67 74.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.8 m 58.66 42.88 19.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.884 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -103.07 154.19 18.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 123.68 10.34 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.9 t -64.21 -49.81 70.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.3 p -83.13 147.61 27.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m 58.31 42.89 20.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -92.82 -45.61 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.798 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.59 171.39 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -129.92 139.59 51.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -86.47 174.29 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.24 133.47 1.72 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.3 mm -98.72 134.17 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -111.16 125.6 53.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -97.65 142.9 28.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.6 p -149.85 124.97 10.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.807 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mp -102.71 126.7 49.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.2 m -70.09 142.62 52.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.73 -35.34 15.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 16' ' ' ASP . 1.3 pt? -115.64 175.01 5.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' LEU . 16.5 t70 -36.19 -50.6 0.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 4.9 p90 -157.32 158.23 35.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.465 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.1 m-20 -100.58 143.37 26.41 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.642 0.734 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.47 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 54.0 Cg_endo -69.71 -38.27 8.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.352 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -69.9 -41.78 74.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -64.94 -45.82 84.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 18' ' ' ASP . 55.5 t -61.63 -58.88 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.633 HD21 ' HB2' ' A' ' 66' ' ' TYR . 27.6 mt -56.57 -36.75 69.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.19 38.61 3.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -125.37 165.78 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -115.07 173.46 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -21.08 49.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.4 p -72.88 -14.74 61.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.88 132.81 34.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' GLN . 35.1 m -97.96 162.63 13.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.886 ' HA ' HD12 ' A' ' 34' ' ' ILE . 5.1 tp-100 -35.68 -49.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.66 -66.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -43.15 -40.68 3.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.886 HD12 ' HA ' ' A' ' 31' ' ' GLN . 45.5 mt -56.16 -56.67 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -41.21 -60.44 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -51.11 -37.69 47.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.78 85.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.451 ' CG ' ' CD2' ' A' ' 66' ' ' TYR . 3.9 t80 -62.46 -52.64 62.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -39.71 -60.45 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -46.1 -65.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.574 ' HB3' HD13 ' A' ' 62' ' ' ILE . 35.2 mt -48.69 -38.58 21.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.42 -33.15 73.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.071 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -76.43 -45.32 31.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -71.59 -54.53 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.488 ' CE3' ' HB3' ' A' ' 58' ' ' ARG . 84.4 m95 -80.5 12.83 2.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.49 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.2 t-80 -54.42 115.79 9.31 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.594 0.712 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.58 ' HD3' ' CD2' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.79 -25.16 28.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.49 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 3.9 m-20 -65.25 -32.15 73.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -100.97 -30.11 11.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 25.6 m-20 -77.53 115.89 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.04 -33.2 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -55.95 142.06 65.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.566 0.698 . . . . 0.0 110.904 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 118.18 5.53 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.83 -43.89 1.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -44.64 -40.96 6.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.728 0.299 . . . . 0.0 111.056 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ASP . 13.4 tt0 -60.88 -55.67 30.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' HA ' HD12 ' A' ' 60' ' ' ILE . 2.2 t70 -36.19 -62.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.488 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 10.6 tpt180 -52.61 -55.31 23.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.58 ' CD2' ' HD3' ' A' ' 47' ' ' PRO . 7.0 t80 -44.04 -54.68 5.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 57' ' ' ASP . 54.8 mt -45.08 -45.48 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.68 -45.94 84.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.574 HD13 ' HB3' ' A' ' 41' ' ' LEU . 35.5 mt -55.71 -61.11 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 t -49.69 -46.49 50.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -64.03 -37.7 88.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.47 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -64.24 -53.08 54.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.633 ' HB2' HD21 ' A' ' 23' ' ' LEU . 15.7 t80 -66.62 -47.69 71.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -38.66 -51.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.1 mt -52.72 -53.77 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.433 HD12 HD12 ' A' ' 23' ' ' LEU . 24.1 mt -65.09 -61.89 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.508 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 10.5 t -38.42 -47.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.478 ' CB ' ' HD3' ' A' ' 74' ' ' LYS . 8.1 m-80 -76.46 116.31 17.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -55.5 -40.59 71.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -59.02 -60.15 4.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.478 ' HD3' ' CB ' ' A' ' 71' ' ' ASN . 0.2 OUTLIER -57.4 -54.85 42.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -44.45 -53.14 7.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 79.3 m -61.96 -62.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.0 -48.08 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.4 t80 -61.61 -47.3 86.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -60.36 -61.77 2.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -56.32 -45.59 80.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -72.78 -21.63 60.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' TYR . . . 83.55 -19.43 14.8 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 97.4 p -154.14 150.24 27.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.963 0.411 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -89.08 158.54 28.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 135.89 31.46 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.328 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.2 t -63.07 148.7 47.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.0 m -70.82 107.37 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -96.33 132.51 41.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.891 0.377 . . . . 0.0 110.841 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -101.04 119.32 38.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.58 52.3 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -93.76 121.5 35.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.926 0.393 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.4 p -150.71 163.19 39.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.88 123.32 0.67 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.442 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.618 ' C ' HD22 ' A' ' 9' ' ' LEU . 58.2 mt -103.92 126.1 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.618 HD22 ' C ' ' A' ' 8' ' ' ILE . 3.7 mm? -120.09 150.52 40.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -63.98 141.14 58.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.9 p -86.98 -45.86 10.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mp -95.17 -58.97 2.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 t -40.95 -57.76 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 163.8 6.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.816 HD22 ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -82.47 178.2 8.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -90.31 -10.27 44.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.816 ' O ' HD22 ' A' ' 15' ' ' LEU . 1.5 p90 -157.83 138.24 12.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.815 ' O ' HG23 ' A' ' 22' ' ' VAL . 19.0 m-20 -93.58 142.84 25.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.619 0.723 . . . . 0.0 110.851 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -45.51 1.52 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.349 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.514 ' HE1' HD22 ' A' ' 69' ' ' LEU . 6.4 m-85 -61.67 -37.12 82.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -70.57 -43.44 69.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 18' ' ' ASP . 94.4 t -59.48 -56.13 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.3 mt -63.61 -33.19 75.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.27 47.05 3.92 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 m -131.32 165.54 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.86 178.08 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -57.12 -31.27 65.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 t -65.56 -22.14 66.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.48 130.32 42.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' GLN . 50.1 p -113.0 172.45 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 30' ' ' SER . 15.9 mm100 -36.94 -40.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.15 -63.9 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -51.44 -45.28 62.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.519 HG22 ' CD1' ' A' ' 66' ' ' TYR . 74.8 mt -59.92 -65.9 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -47.81 -38.87 16.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -69.53 -40.58 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.23 -38.78 82.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -60.77 -60.44 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -47.95 -59.0 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -48.16 -46.36 34.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mt -62.94 -41.76 99.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.08 92.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -66.84 -43.75 82.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.49 -54.21 11.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -82.54 17.21 1.84 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -61.79 132.51 93.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.81 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -29.39 24.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.728 2.285 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.45 -36.18 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -95.61 -30.17 13.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -77.82 131.76 37.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -101.27 -32.64 10.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.66 131.93 71.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.562 0.696 . . . . 0.0 110.903 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 117.74 5.26 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.752 2.301 . . . . 0.0 112.36 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 129.42 -38.91 1.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' GLY . . . -37.05 -39.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -52.73 -49.6 65.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.89 -57.87 3.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -57.58 -48.49 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.465 ' HA ' HD12 ' A' ' 62' ' ' ILE . 83.4 t80 -47.57 -44.97 26.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.0 mt -60.18 -48.12 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -61.31 -46.93 88.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 59' ' ' PHE . 79.6 mt -49.61 -47.37 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -69.61 -45.42 68.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.437 ' HA ' ' CD ' ' A' ' 67' ' ' GLU . 53.2 mmtt -63.12 -22.92 67.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.64 -34.39 27.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.562 ' CE1' ' HB3' ' A' ' 70' ' ' SER . 17.6 t80 -78.63 -49.69 12.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' CD ' ' HA ' ' A' ' 64' ' ' LYS . 13.9 pt-20 -42.76 -36.5 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.44 -57.46 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.514 HD22 ' HE1' ' A' ' 20' ' ' TYR . 24.0 mt -65.66 -57.92 6.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.562 ' HB3' ' CE1' ' A' ' 66' ' ' TYR . 60.7 p -34.56 -49.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -79.72 131.18 35.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -59.07 -54.14 50.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -49.51 -67.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -49.97 -49.92 48.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.4 ttp85 -48.38 -59.0 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 94.4 m -58.81 -45.87 88.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -48.39 -39.16 21.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -62.71 -41.89 99.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.17 -46.52 56.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -55.31 -31.05 61.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -69.7 -21.97 63.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.95 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 83' ' ' SER . . . 111.47 39.16 1.37 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 82' ' ' GLY . 26.4 p -35.02 -43.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.373 . . . . 0.0 110.856 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -104.89 169.33 16.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.31 20.99 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.3 m -160.71 165.47 30.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.4 m -87.16 -61.95 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.481 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -76.12 -47.52 24.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 m -83.1 165.03 19.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.13 139.53 3.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 m -124.0 156.97 35.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 110.855 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -127.24 138.74 53.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.66 157.93 17.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.0 tt -55.89 155.95 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.865 0.364 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.7 mt -131.85 150.0 52.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -111.79 132.17 54.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -125.4 145.01 50.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mp -77.43 -58.2 3.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.4 p -110.82 157.22 20.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.24 172.33 18.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -114.02 177.78 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -42.01 -58.44 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.6 p90 -149.18 147.35 28.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.798 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.8 t70 -93.53 141.16 23.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.592 0.711 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 54.0 Cg_endo -69.77 -41.86 3.9 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.332 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -69.44 -42.62 74.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -63.66 -47.65 80.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 18' ' ' ASP . 99.2 t -59.59 -64.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.6 mt -53.38 -34.3 57.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.64 46.32 3.22 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.414 ' HB ' ' HB2' ' A' ' 29' ' ' ALA . 0.8 OUTLIER -131.05 177.33 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 111.114 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.446 ' HB3' HG22 ' A' ' 28' ' ' THR . 1.1 t -113.52 178.14 4.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.9 mmm-85 -63.84 -26.96 68.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.446 HG22 ' HB3' ' A' ' 26' ' ' SER . 9.0 t -76.64 -8.84 58.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.414 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . . . -60.33 123.46 17.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 32' ' ' ALA . 3.6 m -100.35 157.27 16.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 30' ' ' SER . 51.1 mm-40 -34.36 -33.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -70.53 -59.44 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.063 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.61 -43.57 80.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.4 mt -62.32 -54.8 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -51.88 -44.11 63.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -66.0 -37.23 85.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.69 -29.58 63.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -73.9 -65.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 43' ' ' ARG . 22.3 mttm -43.41 -44.45 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -59.64 4.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.6 mt -59.0 -57.9 11.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.5 -38.39 20.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 39' ' ' LYS . 79.7 mtt180 -65.55 -45.18 84.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -68.7 -54.92 13.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.409 ' CD1' ' CD1' ' A' ' 62' ' ' ILE . 79.7 m95 -78.9 8.22 5.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CE1' ' HB3' ' A' ' 48' ' ' ASP . 4.5 t-80 -54.23 125.2 49.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.605 0.716 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.411 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.9 Cg_endo -69.77 -1.04 7.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.497 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -77.88 -37.74 47.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -101.35 -29.94 11.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.464 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 30.3 m-20 -69.26 121.05 16.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -101.64 -33.16 10.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.24 141.68 76.85 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.0 5.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.356 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.14 -39.44 1.85 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.03 -36.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 111.091 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ASP . 24.3 tt0 -58.29 -63.73 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' GLU . 3.2 m-20 -36.75 -60.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -45.54 53.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -63.22 -32.86 74.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.6 mm -58.03 -37.76 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -77.37 -47.29 20.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.409 ' CD1' ' CD1' ' A' ' 45' ' ' TRP . 50.1 mt -54.69 -45.79 73.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 t -69.84 -44.86 69.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -61.67 -35.92 79.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.34 82.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.425 ' CD2' ' HB2' ' A' ' 70' ' ' SER . 16.8 t80 -67.38 -44.78 78.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -38.41 -40.07 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 34.1 mt -68.53 -58.27 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 70' ' ' SER . 32.0 mt -64.96 -60.82 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 69' ' ' LEU . 4.6 t -34.55 -48.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -84.14 130.81 34.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -64.19 -48.19 76.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -51.73 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -55.78 -51.78 66.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -47.24 -61.48 1.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 82.1 m -60.74 -56.93 15.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -41.36 -43.09 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.482 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.4 OUTLIER -60.4 -51.98 67.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -58.1 -31.62 67.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -57.6 -55.6 32.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -78.6 -21.99 47.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.47 -18.69 8.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t -97.89 -67.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.937 0.398 . . . . 0.0 110.902 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 173.8 -157.87 26.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 150.76 68.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.2 m -101.56 158.75 15.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 t -88.2 -49.21 7.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.481 -179.998 . . . . . . . . 0 0 . 1 . 007 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 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.1 p -152.75 128.03 9.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.897 0.38 . . . . 0.0 110.823 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -131.15 125.2 32.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.67 120.12 5.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.441 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -167.1 170.75 11.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 p 53.06 39.56 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.78 167.2 38.46 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.5 mt -132.06 138.22 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 9' ' ' LEU . 4.4 pp -53.84 146.14 14.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -50.98 -61.62 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 t -167.08 164.23 15.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.9 tp -149.62 121.55 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.8 m -149.28 137.51 20.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.34 -41.34 8.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -87.67 170.74 11.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -38.52 -61.19 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.487 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 4.7 p90 -144.09 148.09 34.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.32 144.06 27.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.719 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -43.66 2.53 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.325 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -62.54 -37.45 86.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -68.44 -43.81 76.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.0 t -61.46 -53.89 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.569 HD13 HG23 ' A' ' 34' ' ' ILE . 59.6 mt -65.77 -34.47 78.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.54 44.98 3.56 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -136.25 165.39 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.108 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -111.73 174.25 5.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -51.95 -33.86 39.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.429 ' N ' ' HG2' ' A' ' 27' ' ' ARG . 24.1 p -59.64 -24.74 64.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' A' ' 33' ' ' ASP . . . -72.86 127.78 33.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' ALA . 8.0 m -107.35 169.86 8.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' SER . 0.9 OUTLIER -34.67 -33.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -68.38 -59.64 3.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.496 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 6.0 t0 -60.03 -44.42 94.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.569 HG23 HD13 ' A' ' 23' ' ' LEU . 32.7 mt -61.38 -49.37 84.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -56.09 -55.95 26.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -59.31 -39.46 83.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.99 -39.11 90.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -62.65 -58.98 5.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -59.55 2.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -42.33 -51.92 4.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mt -60.39 -56.99 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.49 -41.26 29.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.5 mtt85 -62.72 -45.14 94.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -68.73 -57.78 5.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.508 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 82.9 m95 -77.51 8.52 4.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.417 ' ND1' ' HD2' ' A' ' 47' ' ' PRO . 1.3 t-80 -51.97 115.84 7.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.521 ' HD3' ' CG ' ' A' ' 59' ' ' PHE . 53.4 Cg_endo -69.72 -8.2 23.0 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.742 2.295 . . . . 0.0 112.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -77.6 -37.29 50.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -99.27 -27.19 13.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.515 HD22 ' HB1' ' A' ' 55' ' ' ALA . 33.7 m-20 -73.47 132.27 42.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.38 -35.44 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -53.13 137.28 48.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 112.42 3.07 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.71 -40.24 1.64 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.515 ' HB1' HD22 ' A' ' 50' ' ' ASN . . . -40.05 -44.66 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -55.77 -45.18 78.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -49.63 -49.94 45.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.508 ' HG2' ' CD2' ' A' ' 45' ' ' TRP . 20.4 tpt85 -62.91 -44.59 95.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.582 ' HA ' HD12 ' A' ' 62' ' ' ILE . 46.1 t80 -53.66 -42.94 68.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.3 mt -56.63 -44.48 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.163 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -62.39 -51.71 66.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 59' ' ' PHE . 20.0 mt -50.81 -51.72 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -58.97 -46.06 89.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -60.04 -40.67 90.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.23 -51.65 69.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.52 ' CD1' HG22 ' A' ' 34' ' ' ILE . 12.2 t80 -66.09 -44.37 84.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -38.55 -47.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.29 -62.26 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' SER . 11.8 mt -61.24 -63.74 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.474 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 19.7 t -37.05 -49.42 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -76.98 128.03 33.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -61.86 -47.48 84.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -52.42 -61.45 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -56.08 -54.02 50.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -46.78 -57.4 4.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.643 HG22 ' ND1' ' A' ' 80' ' ' HIS . 26.4 m -57.18 -44.48 83.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -52.37 -42.42 63.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -48.44 -61.49 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.94 -43.64 98.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.643 ' ND1' HG22 ' A' ' 76' ' ' THR . 4.7 m170 -55.08 -29.2 57.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -71.08 -21.97 62.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.45 38.83 13.5 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 t -91.13 134.82 34.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.855 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.59 -165.76 18.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.54 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -47.27 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.679 2.252 . . . . 0.0 112.34 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.2 p -65.24 134.86 54.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.5 m -81.54 -62.36 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -79.77 -52.82 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.853 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -133.83 168.54 18.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.69 155.47 24.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -99.98 175.35 5.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -144.89 144.92 31.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.93 38.77 97.13 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.456 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.797 HD13 HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -74.45 3.35 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 111.173 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.797 HD12 HD13 ' A' ' 8' ' ' ILE . 5.1 mp -79.9 135.33 36.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -92.67 146.53 23.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.4 p -116.76 151.77 35.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.9 mt -80.11 -59.1 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.0 m -124.04 145.53 49.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.79 153.31 35.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.67 HD11 ' O ' ' A' ' 17' ' ' PHE . 2.2 pt? -80.06 175.89 10.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -49.77 -52.15 33.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.67 ' O ' HD11 ' A' ' 15' ' ' LEU . 5.0 p90 -151.29 150.18 30.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.724 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.3 m-20 -94.65 144.01 27.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 54.0 Cg_endo -69.79 -46.88 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -61.35 -41.74 97.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -65.46 -43.94 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 18' ' ' ASP . 54.2 t -58.09 -56.02 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.45 HD13 HG23 ' A' ' 34' ' ' ILE . 36.3 mt -65.47 -28.65 69.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.28 39.65 5.97 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -129.98 175.23 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 111.092 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -114.98 173.53 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.2 ptt-85 -56.32 -30.05 62.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.1 p -66.96 -20.78 65.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.64 129.55 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 32' ' ' ALA . 21.9 t -106.4 165.73 11.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' SER . 57.4 mm-40 -35.6 -34.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -67.42 -61.92 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -55.41 -42.79 74.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.475 HG22 ' CD1' ' A' ' 66' ' ' TYR . 33.2 mt -64.55 -55.24 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -55.81 -27.37 50.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -85.71 -36.13 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.26 -23.85 60.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.096 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.546 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 1.8 t80 -75.55 -66.96 0.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.546 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 18.4 mttt -45.55 -45.05 13.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.51 -57.5 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mt -61.36 -58.8 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.417 ' HB1' ' HE1' ' A' ' 59' ' ' PHE . . . -48.27 -28.38 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -79.07 -38.66 35.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -74.15 -53.71 9.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -80.56 10.48 4.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.508 ' CD2' ' HB2' ' A' ' 48' ' ' ASP . 6.4 t60 -59.43 135.16 88.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -34.82 13.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.284 . . . . 0.0 112.327 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.508 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 2.2 m-20 -56.44 -34.53 66.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -100.07 -30.11 12.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.404 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 2.0 m-80 -80.06 107.91 13.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -38.09 65.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -53.7 132.83 55.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.733 . . . . 0.0 110.854 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 118.47 5.7 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.12 -33.15 3.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.52 -36.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.723 0.297 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.55 -50.79 70.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -38.61 -56.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -56.5 -52.93 62.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.417 ' HE1' ' HB1' ' A' ' 42' ' ' ALA . 52.7 t80 -45.21 -43.43 10.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.3 mt -57.14 -51.32 70.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -59.53 -49.29 78.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 32.2 mt -53.83 -48.08 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 t -67.12 -45.71 76.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -58.57 -37.76 76.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.407 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -63.85 -47.86 79.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 9.3 t80 -65.81 -45.75 81.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -42.09 -32.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.7 mt -70.93 -64.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.3 mt -59.9 -53.86 52.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.541 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 23.0 t -34.86 -52.33 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -81.75 138.27 35.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -63.07 -59.92 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -47.22 -53.59 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -60.57 -36.78 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -66.68 -41.09 88.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.5 m -75.83 -64.36 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 78' ' ' TYR . 1.3 p-10 -42.39 -39.23 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.467 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 4.7 t80 -57.22 -59.7 4.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.52 -46.92 87.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -56.98 -29.04 62.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -71.23 -21.81 62.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.34 30.23 41.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.2 m -89.79 142.68 27.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.929 0.395 . . . . 0.0 110.869 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 101.55 174.64 28.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -19.62 35.96 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.6 t -57.35 123.68 16.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.815 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.5 t 58.5 43.44 19.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.501 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -92.19 172.36 8.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.5 p -76.54 -39.44 52.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.61 145.49 7.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 p -55.32 153.16 7.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.819 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 m -140.16 126.42 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.57 60.91 7.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.6 pt -96.93 151.05 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mp -109.15 154.17 22.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -130.06 111.49 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -119.87 122.48 41.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -160.36 157.71 28.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m -72.93 169.84 16.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -117.91 124.51 48.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' ASP . 1.0 OUTLIER -164.08 172.35 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' LEU . 7.9 t70 -37.51 -55.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.498 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 4.0 p90 -157.03 143.91 18.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.92 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.6 m-20 -94.9 143.37 26.03 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.606 0.717 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.548 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 53.8 Cg_endo -69.7 -48.32 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -62.2 -41.53 98.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -63.86 -40.49 96.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 18' ' ' ASP . 88.8 t -65.07 -53.06 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' A' ' 66' ' ' TYR . 90.6 mt -69.72 -15.45 63.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.04 44.45 54.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.497 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.42 168.7 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 111.144 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -116.96 178.07 4.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.466 ' CD ' ' H ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -63.19 -20.47 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.0 p -74.54 -16.62 60.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.97 126.83 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' GLN . 89.5 p -104.01 166.07 10.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.579 ' HA ' HD12 ' A' ' 34' ' ' ILE . 32.1 tp60 -37.03 -34.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.16 -58.5 4.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -59.85 -40.9 90.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 31' ' ' GLN . 27.4 mt -56.06 -48.63 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.3 tttt -57.42 -43.91 84.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -66.97 -31.98 72.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.99 -43.65 74.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.076 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -57.89 -62.32 1.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -38.05 -67.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -41.78 -57.77 2.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.473 HD23 ' CD1' ' A' ' 45' ' ' TRP . 8.8 mt -54.23 -37.28 64.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.08 -35.6 71.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -73.45 -42.24 62.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -74.0 -53.77 9.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.473 ' CD1' HD23 ' A' ' 41' ' ' LEU . 86.5 m95 -81.42 15.61 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.558 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.8 t-80 -61.02 134.88 93.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.562 0.696 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.558 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 54.0 Cg_endo -69.71 -32.99 17.7 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.47 -34.16 70.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -95.66 -30.04 13.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 1.5 m120 -79.87 119.52 22.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -97.91 -25.12 15.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.1 141.7 98.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.634 0.73 . . . . 0.0 110.871 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 116.51 4.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 57' ' ' ASP . . . 129.52 -41.57 1.53 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -36.98 -39.31 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.743 ' OE2' HD11 ' A' ' 60' ' ' ILE . 11.7 tm-20 -62.17 -45.91 91.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' GLY . 31.2 t0 -48.06 -53.21 17.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.1 tpp85 -64.93 -47.41 77.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -45.92 -35.8 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.743 HD11 ' OE2' ' A' ' 56' ' ' GLU . 64.1 mt -69.95 -47.3 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -58.82 -38.35 78.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.5 mt -61.01 -47.5 93.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 t -68.2 -43.14 78.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -60.36 -37.15 79.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.548 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -64.46 -57.73 8.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.517 ' CE1' HG22 ' A' ' 34' ' ' ILE . 13.4 t80 -56.65 -43.34 80.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -38.42 -51.08 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.7 mt -53.08 -51.0 42.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 70' ' ' SER . 7.8 mt -72.82 -64.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.471 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 8.7 t -34.33 -52.41 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -70.71 107.02 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -40.14 -60.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -46.29 -65.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -44.41 -49.57 9.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.946 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.3 ttp85 -57.09 -61.93 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 63.3 m -50.32 -40.1 47.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.418 ' O ' ' CD2' ' A' ' 81' ' ' TYR . 74.3 m-20 -55.07 -49.86 70.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.42 ' CE1' ' O ' ' A' ' 83' ' ' SER . 0.7 OUTLIER -55.01 -61.13 2.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -49.08 -52.15 27.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -47.98 -43.43 29.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 26.7 m-85 -83.37 -22.02 32.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 54.01 38.99 61.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.42 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 80.4 p -167.53 171.37 10.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.388 . . . . 0.0 110.858 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.25 107.33 3.5 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 147.93 64.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.7 p -88.17 134.1 33.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.3 p -38.6 -41.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t -132.44 129.0 38.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.823 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -111.4 133.87 53.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.17 166.46 12.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -141.48 136.96 31.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -100.8 150.67 22.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.91 123.79 0.82 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.2 pt -87.9 156.57 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mp -89.96 137.79 32.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -74.95 -62.54 1.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 t -122.38 175.24 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mt -110.96 109.33 19.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.1 m -89.19 -51.54 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.85 173.36 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.435 HD11 ' O ' ' A' ' 17' ' ' PHE . 2.0 pt? -74.76 174.66 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -43.36 -56.16 3.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.519 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 2.5 p90 -140.63 144.78 35.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.588 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.2 m-20 -93.56 143.15 26.15 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -43.17 2.83 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.713 2.275 . . . . 0.0 112.315 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -64.51 -39.83 94.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -64.49 -44.87 89.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 18' ' ' ASP . 69.2 t -59.97 -56.99 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.493 HD13 HG23 ' A' ' 34' ' ' ILE . 62.9 mt -64.84 -41.25 95.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.9 47.16 2.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -125.35 174.46 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.605 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 2.9 m -125.7 174.45 8.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -45.43 -58.92 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.9 p -46.23 -22.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 26' ' ' SER . . . -72.68 116.79 13.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLN . 53.4 m -106.97 174.33 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' SER . 11.9 mm100 -34.62 -42.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.48 -63.58 1.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -52.26 -45.52 65.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.493 HG23 HD13 ' A' ' 23' ' ' LEU . 53.4 mt -54.83 -57.29 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' CG ' ' HE2' ' A' ' 39' ' ' LYS . 5.5 ttpm? -44.21 -63.26 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -50.07 -33.24 17.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 34' ' ' ILE . . . -67.5 -49.48 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 42' ' ' ALA . 17.9 t80 -56.48 -60.02 4.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' HE2' ' CG ' ' A' ' 35' ' ' LYS . 3.3 mptp? -36.49 -50.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -56.92 -57.82 10.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 15.9 mt -56.79 -59.04 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.416 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . . . -52.78 -34.61 54.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -73.15 -43.31 61.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -68.97 -58.39 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.56 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 64.6 m95 -78.66 10.63 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -54.39 120.04 23.98 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 0.96 4.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -89.18 -35.0 16.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -99.22 -29.93 12.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.519 ' OD1' ' HB1' ' A' ' 55' ' ' ALA . 1.5 m120 -68.13 133.86 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.97 -41.64 7.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -53.34 132.86 52.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.73 . . . . 0.0 110.848 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.6 3.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.38 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ASP . . . 132.66 -37.21 2.05 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.519 ' HB1' ' OD1' ' A' ' 50' ' ' ASN . . . -36.93 -40.39 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.724 0.297 . . . . 0.0 111.063 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -54.17 -47.85 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.45 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.1 t70 -43.01 -59.43 2.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.56 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 18.1 tpt180 -54.82 -48.73 72.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.688 ' HA ' HD12 ' A' ' 62' ' ' ILE . 3.7 t80 -49.05 -49.76 39.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 57' ' ' ASP . 60.7 mt -47.71 -44.12 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -60.82 -53.94 51.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 59' ' ' PHE . 17.9 mt -47.96 -49.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.7 t -61.17 -49.24 78.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -56.87 -40.15 75.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.48 -50.17 68.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 70' ' ' SER . 17.4 t80 -62.13 -48.07 81.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -38.42 -43.58 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.3 mt -57.41 -51.68 66.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' SER . 6.2 mt -75.56 -59.57 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 13.3 t -36.67 -44.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -74.58 120.87 20.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -56.34 -44.23 79.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.97 -61.59 1.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -50.11 -44.21 52.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.4 ttt-85 -58.07 -61.6 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' ASN . 86.5 m -42.42 -60.48 1.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 76' ' ' THR . 11.0 m120 -36.61 -51.53 0.85 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.36 -59.29 4.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.12 -47.38 62.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -51.28 -44.99 61.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.46 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 6.3 m-85 -72.92 -21.85 60.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.58 39.41 96.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.8 t 55.46 41.99 30.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.906 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.08 174.0 37.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 85.45 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.46 ' HB3' ' CG ' ' A' ' 81' ' ' TYR . 12.1 t -93.22 138.11 31.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.7 m -55.44 -60.63 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -98.35 143.01 29.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m 56.79 44.34 23.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.65 98.37 2.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.45 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -83.94 -59.33 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 0.0 110.855 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -56.1 135.4 52.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.74 -156.95 12.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.79 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -102.85 155.79 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 111.126 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.6 tp -154.65 160.25 41.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -65.18 113.44 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 t -82.34 -61.82 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 mt -130.82 170.6 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.4 m -59.54 124.94 21.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.65 162.9 24.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.542 HD22 ' OH ' ' A' ' 78' ' ' TYR . 1.8 pt? -118.14 172.17 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 15' ' ' LEU . 43.1 m-20 -36.12 -58.75 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.442 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 6.4 p90 -149.14 162.16 40.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.857 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.4 t70 -111.91 141.18 24.33 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.597 0.713 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.532 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 53.5 Cg_endo -69.76 -39.67 6.22 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.743 2.295 . . . . 0.0 112.339 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.457 ' CE1' HD21 ' A' ' 69' ' ' LEU . 13.0 m-85 -68.82 -47.67 65.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -60.82 -44.62 96.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.857 HG23 ' O ' ' A' ' 18' ' ' ASP . 95.5 t -63.56 -55.62 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.533 ' CD1' HG23 ' A' ' 34' ' ' ILE . 10.6 mt -58.36 -22.74 54.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.07 49.42 5.31 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.59 166.79 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 111.121 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -114.18 177.55 4.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -55.21 -30.92 60.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.3 p -64.75 -22.89 67.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.75 126.28 29.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' GLN . 7.1 m -106.29 163.89 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.943 ' HA ' HD12 ' A' ' 34' ' ' ILE . 7.5 mm100 -35.87 -35.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.04 -57.83 7.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.499 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 5.4 m-20 -59.61 -37.82 79.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.943 HD12 ' HA ' ' A' ' 31' ' ' GLN . 21.2 mt -56.44 -48.91 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -55.6 -54.51 43.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.499 ' CD ' ' HA ' ' A' ' 33' ' ' ASP . 13.3 ptmt -59.06 -48.66 80.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.39 -23.23 63.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.633 ' CD2' ' CD2' ' A' ' 66' ' ' TYR . 2.7 t80 -73.88 -68.02 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -48.08 -45.63 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -50.43 -55.59 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 23' ' ' LEU . 9.6 mt -60.84 -41.63 96.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.79 81.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 14.2 mtp-105 -76.89 -37.63 55.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -70.72 -57.37 4.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -83.52 12.73 5.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.506 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 5.2 t-80 -54.69 139.89 59.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.631 0.729 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.507 ' HD3' ' CG ' ' A' ' 59' ' ' PHE . 53.8 Cg_endo -69.79 -42.34 3.46 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.412 ' HB2' ' ND1' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -56.47 -31.44 64.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -92.77 -30.09 15.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.468 ' OD1' ' HB1' ' A' ' 55' ' ' ALA . 3.4 m120 -85.24 126.31 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -98.5 -32.6 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.15 139.64 64.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.631 0.729 . . . . 0.0 110.867 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 116.13 4.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 119.71 -38.97 2.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.468 ' HB1' ' OD1' ' A' ' 50' ' ' ASN . . . -36.97 -43.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.761 0.315 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -50.72 -45.11 58.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.71 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.7 m-20 -42.72 -54.69 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -54.19 -49.16 69.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.507 ' CG ' ' HD3' ' A' ' 47' ' ' PRO . 53.5 t80 -54.16 -42.01 69.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 57' ' ' ASP . 38.1 mt -58.39 -42.61 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -68.91 -52.17 32.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.476 HG21 ' HB3' ' A' ' 41' ' ' LEU . 32.9 mt -50.65 -46.89 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -63.22 -47.21 83.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -58.28 -37.85 75.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.532 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -60.0 -46.74 88.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.633 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 13.2 t80 -70.39 -42.81 71.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -41.7 -36.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.2 mt -73.27 -53.53 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.874 HD23 ' HD3' ' A' ' 75' ' ' ARG . 10.6 mt -66.48 -61.37 2.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 66' ' ' TYR . 59.9 p -41.48 -40.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -82.5 139.09 34.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -76.57 -50.47 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -52.77 -52.49 56.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -62.45 -62.45 1.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.874 ' HD3' HD23 ' A' ' 69' ' ' LEU . 26.8 tpt180 -47.07 -63.7 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 62.2 m -46.04 -37.83 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -68.66 -49.06 62.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.542 ' OH ' HD22 ' A' ' 15' ' ' LEU . 12.3 t80 -58.72 -59.15 5.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -53.83 -54.94 31.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -52.8 -39.25 62.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.448 ' CD2' ' HA3' ' A' ' 84' ' ' GLY . 4.6 t80 -71.62 -18.08 62.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.69 40.01 54.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.511 ' HA ' ' CE1' ' A' ' 78' ' ' TYR . 35.0 m 57.81 42.35 23.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.972 0.415 . . . . 0.0 110.892 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.448 ' HA3' ' CD2' ' A' ' 81' ' ' TYR . . . -79.14 152.48 36.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -174.93 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.8 p -137.98 158.34 44.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.2 t -60.87 -55.02 38.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 m -60.49 149.57 33.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p -119.98 124.46 45.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.828 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.21 -155.09 0.9 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.8 p -108.99 150.75 27.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.835 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -54.1 -62.51 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.43 56.91 3.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.446 HD11 ' NH1' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -73.26 161.51 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 111.123 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.28 110.34 14.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.86 148.7 42.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.0 p -86.26 -55.56 3.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mp -140.34 138.42 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.5 m -114.36 144.7 42.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.85 92.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' ASP . 2.2 pt? -135.14 177.44 7.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' LEU . 35.7 m-20 -35.34 -66.57 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 5.2 p90 -130.4 162.46 29.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 1.5 t70 -104.8 141.12 21.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.555 0.693 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.601 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 53.9 Cg_endo -69.71 -36.72 10.41 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -70.71 -39.82 73.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.957 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' NH1' HD11 ' A' ' 8' ' ' ILE . 27.3 mmt180 -66.41 -48.57 69.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 18' ' ' ASP . 69.1 t -59.58 -55.45 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.612 HD13 HG23 ' A' ' 34' ' ' ILE . 40.2 mt -60.21 -41.46 93.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.93 47.5 2.07 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.505 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.472 ' HB ' ' CB ' ' A' ' 29' ' ' ALA . 3.8 m -135.7 153.12 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -105.56 174.71 5.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -44.16 -53.45 6.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.3 m -43.4 -35.68 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.472 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . . . -66.97 122.78 18.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -102.02 177.19 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.598 ' HA ' HD12 ' A' ' 34' ' ' ILE . 9.2 tp-100 -43.03 -42.48 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.8 -62.24 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -54.14 -45.2 71.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.612 HG23 HD13 ' A' ' 23' ' ' LEU . 32.2 mt -54.31 -48.7 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.409 ' HG2' ' NZ ' ' A' ' 39' ' ' LYS . 3.0 ttmp? -51.52 -62.18 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -56.57 -43.79 80.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.86 82.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.453 ' HA ' HD22 ' A' ' 23' ' ' LEU . 2.4 t80 -57.22 -58.23 9.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.409 ' NZ ' ' HG2' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -49.14 -45.59 43.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -46.83 -59.16 3.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.467 ' HB3' HD13 ' A' ' 62' ' ' ILE . 13.3 mt -59.34 -55.63 32.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.12 -38.32 17.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -66.86 -44.46 80.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -68.64 -57.91 5.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.529 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 83.7 m95 -80.06 12.07 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.549 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.5 t-80 -52.66 117.39 10.76 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.6 0.714 . . . . 0.0 110.867 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.401 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.5 Cg_endo -69.84 -24.34 29.43 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.549 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 1.8 m-20 -67.66 -35.72 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -96.59 -29.93 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.476 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 1.4 m120 -71.68 107.96 4.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -73.55 -42.48 61.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.31 132.69 52.45 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.621 0.724 . . . . 0.0 110.855 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 118.48 5.71 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.24 . . . . 0.0 112.331 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.57 -36.55 2.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.87 -41.74 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.713 0.292 . . . . 0.0 111.068 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' ASP . 51.5 tt0 -52.71 -53.53 46.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.454 ' HA ' HD12 ' A' ' 60' ' ' ILE . 6.3 t70 -34.67 -57.93 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.529 ' HG2' ' CD2' ' A' ' 45' ' ' TRP . 5.8 tpt85 -57.64 -48.91 78.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.691 ' HA ' HD12 ' A' ' 62' ' ' ILE . 17.5 t80 -50.64 -50.94 53.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 57' ' ' ASP . 63.6 mt -45.97 -45.97 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.66 -49.07 78.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 59' ' ' PHE . 19.7 mt -54.37 -55.3 15.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -55.96 -49.98 72.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -59.16 -40.62 86.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.601 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -56.6 -55.81 29.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.546 ' CD1' HG22 ' A' ' 34' ' ' ILE . 15.0 t80 -63.57 -42.69 98.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -40.04 -43.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.9 mt -61.26 -55.05 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' SER . 23.3 mt -67.01 -61.52 1.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 9.8 t -35.81 -48.84 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -69.14 145.86 52.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 4.6 pt-20 -80.69 -38.23 29.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 24.1 mt-10 -66.72 -64.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -47.46 -54.69 10.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -51.85 -57.79 8.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 82.5 m -42.65 -64.14 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -42.04 -47.72 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -50.39 -59.94 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -58.02 -49.47 76.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -52.12 -34.26 43.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -68.67 -22.07 64.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 108.98 -19.85 29.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.9 p 52.55 40.1 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.4 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -154.92 157.36 27.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -50.24 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.383 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 m 61.39 43.35 10.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.9 t -99.77 146.32 26.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.513 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t -61.16 160.29 10.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.836 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -76.41 -58.92 3.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.4 -91.24 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 p -125.9 168.11 14.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 m -132.24 153.8 50.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.25 156.47 19.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 8' ' ' ILE . 4.9 mp -128.67 117.72 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 0.0 111.108 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.84 -53.48 49.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 57.68 43.09 22.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.3 p -106.2 142.66 35.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.825 ' O ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.59 -5.63 50.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.563 ' N ' HD13 ' A' ' 12' ' ' LEU . 28.2 p -57.65 -44.73 85.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.81 163.45 27.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' ASP . 1.2 pt? -62.62 169.45 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' LEU . 8.5 m-20 -35.66 -58.98 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.493 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 4.0 p90 -140.64 154.78 46.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.878 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.5 t70 -97.56 140.31 21.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.587 0.708 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 53.5 Cg_endo -69.8 -42.93 2.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.623 2.215 . . . . 0.0 112.356 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.501 ' HE1' HD21 ' A' ' 69' ' ' LEU . 5.1 m-85 -64.58 -43.32 94.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -64.15 -45.95 86.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 18' ' ' ASP . 94.6 t -57.25 -62.09 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.601 ' O ' HD11 ' A' ' 41' ' ' LEU . 82.9 mt -62.68 -43.28 99.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.97 45.87 2.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.414 ' HB ' ' CB ' ' A' ' 29' ' ' ALA . 0.8 OUTLIER -120.44 170.81 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 111.141 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.611 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 2.7 m -121.79 177.86 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -48.49 -58.93 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 t -46.89 -24.05 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 26' ' ' SER . . . -70.7 119.51 14.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 31' ' ' GLN . 2.7 m -112.19 173.99 6.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.654 ' HA ' HD12 ' A' ' 34' ' ' ILE . 6.6 tp-100 -34.32 -41.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.95 -64.56 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.168 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -56.93 -41.67 78.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 31' ' ' GLN . 38.4 mt -53.97 -66.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -44.29 -53.05 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -58.17 -37.6 75.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.27 -43.77 81.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -57.09 -60.5 3.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -40.29 -52.14 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -50.87 -57.04 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.601 HD11 ' O ' ' A' ' 23' ' ' LEU . 4.6 mt -56.67 -59.8 4.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.17 -39.73 30.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -64.68 -44.04 91.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -70.0 -57.83 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.45 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 74.5 m95 -79.22 11.54 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.3 t-80 -51.92 116.07 7.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.722 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.411 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.9 Cg_endo -69.78 -15.59 37.09 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.559 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -70.34 -38.54 74.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -97.2 -30.14 13.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.483 HD22 ' HB1' ' A' ' 55' ' ' ALA . 30.6 m-20 -69.77 140.4 53.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -112.95 -34.89 5.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.66 136.19 71.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.606 0.717 . . . . 0.0 110.88 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 104.57 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.639 2.226 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.35 -42.61 0.93 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.483 ' HB1' HD22 ' A' ' 50' ' ' ASN . . . -38.15 -43.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' ASP . 15.4 tt0 -55.27 -57.82 10.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.484 ' HA ' HD12 ' A' ' 60' ' ' ILE . 9.0 m-20 -34.79 -51.04 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HG2' ' CD2' ' A' ' 45' ' ' TRP . 11.6 tpt180 -66.12 -51.11 61.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.689 ' HA ' HD12 ' A' ' 62' ' ' ILE . 53.0 t80 -46.12 -45.1 16.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 57' ' ' ASP . 20.7 mt -56.39 -45.53 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -62.35 -46.95 86.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 59' ' ' PHE . 54.5 mt -50.58 -53.78 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.8 t -58.53 -46.58 86.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -57.52 -42.43 82.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.453 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -62.2 -56.72 15.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 9.5 t80 -58.01 -47.0 84.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.923 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -38.33 -46.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 78.2 mt -57.01 -53.32 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.501 HD21 ' HE1' ' A' ' 20' ' ' TYR . 8.9 mt -71.73 -62.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.554 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 4.4 t -34.38 -47.71 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -79.28 135.36 36.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -63.21 -59.28 4.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -47.22 -67.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -41.92 -60.58 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.3 ttp85 -43.17 -56.99 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 94.3 m -52.85 -53.38 49.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -54.51 -60.82 2.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.462 ' CE2' ' HG3' ' A' ' 19' ' ' PRO . 2.5 t80 -49.34 -58.46 5.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -53.29 -43.41 67.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.816 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -51.77 -50.18 61.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.8 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -72.62 -21.79 61.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 54.18 33.34 51.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.9 t -39.85 -58.28 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.892 0.377 . . . . 0.0 110.869 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.96 -158.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.82 3.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.3 t -55.09 -46.71 75.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -145.49 145.15 30.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -60.01 125.05 22.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.7 p 52.59 40.73 30.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.46 153.24 44.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 m -77.89 127.94 33.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 p -84.4 -30.96 24.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.79 86.39 1.87 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.439 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.405 HG23 ' H ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -60.54 170.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.683 HD23 ' H ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -91.11 130.62 36.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -122.89 114.17 20.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t 63.15 44.26 5.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 mp 54.39 41.75 31.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.9 t -54.03 -47.48 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.8 169.2 17.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.432 HD23 ' H ' ' A' ' 15' ' ' LEU . 1.1 pt? -90.06 173.08 8.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -38.0 -60.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 5.1 p90 -136.56 152.43 50.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.473 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.4 t70 -88.76 141.1 29.69 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 54.1 Cg_endo -69.7 -34.32 15.02 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.691 2.26 . . . . 0.0 112.411 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.425 ' CE2' HD21 ' A' ' 69' ' ' LEU . 33.8 m-85 -74.19 -27.92 61.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -78.64 -42.4 28.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 18' ' ' ASP . 69.1 t -63.8 -60.64 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.484 HD13 HG23 ' A' ' 34' ' ' ILE . 41.6 mt -58.71 -32.01 68.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.932 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.98 43.01 4.54 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -135.11 174.13 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 111.074 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.528 ' HB3' HG22 ' A' ' 28' ' ' THR . 1.1 t -120.36 176.33 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -55.9 -30.47 61.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 26' ' ' SER . 9.0 t -68.14 -18.63 64.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.78 120.31 20.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.061 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.8 m -97.22 172.07 8.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -40.2 -34.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.19 -67.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -55.35 -43.67 75.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.484 HG23 HD13 ' A' ' 23' ' ' LEU . 41.2 mt -59.63 -66.31 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -39.3 -45.46 1.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -64.6 -36.77 85.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' ILE . . . -71.11 -37.71 72.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.406 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 2.8 t80 -64.61 -64.15 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 17.7 mttt -48.17 -55.08 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -49.3 -48.4 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.42 -58.88 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.55 -42.68 34.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -66.26 -43.17 87.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -66.32 -59.86 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -77.74 8.95 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.425 ' CD2' ' HB3' ' A' ' 48' ' ' ASP . 13.5 t60 -53.84 123.72 40.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.427 ' HD3' ' CG ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.74 -32.53 18.45 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.425 ' HB3' ' CD2' ' A' ' 46' ' ' HIS . 4.2 t70 -54.43 -31.83 56.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -103.16 -30.05 10.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -67.78 139.86 56.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -102.55 -32.1 10.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -60.19 125.44 81.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.708 . . . . 0.0 110.846 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 104.32 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.727 2.285 . . . . 0.0 112.36 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.66 -34.82 2.0 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.537 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -37.72 -41.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ASP . 32.7 tt0 -42.38 -55.87 3.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' GLU . 37.0 t0 -35.24 -58.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -58.62 -54.93 41.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.904 ' HA ' HD12 ' A' ' 62' ' ' ILE . 12.3 t80 -44.56 -40.92 6.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 75.3 mt -60.48 -47.95 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.439 ' NE2' ' CE2' ' A' ' 17' ' ' PHE . 11.0 mm100 -56.66 -45.72 81.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' A' ' 59' ' ' PHE . 35.1 mt -49.16 -42.3 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -70.38 -42.26 71.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -60.76 -47.94 84.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.68 -49.93 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -66.45 -48.61 69.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -39.25 -42.3 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 29.4 mt -63.51 -58.28 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 70' ' ' SER . 11.4 mt -66.67 -61.47 1.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' LEU . 8.0 t -34.5 -52.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -77.62 127.94 33.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.16 -56.1 26.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -41.78 -60.32 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -58.3 9.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.1 ttt-85 -40.95 -59.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 91.4 m -56.48 -54.68 42.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -38.16 -37.32 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.4 -59.89 2.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -52.71 -48.35 66.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.831 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -55.27 -32.25 62.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -69.14 -21.93 63.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.45 38.53 1.2 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.0 t -44.52 -52.34 8.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.948 0.404 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.18 168.75 32.67 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -42.43 3.35 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.251 . . . . 0.0 112.314 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.6 m -137.03 112.43 9.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.3 m -111.7 111.19 22.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m -158.29 161.77 37.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.384 . . . . 0.0 110.843 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -161.79 165.48 27.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.62 153.62 21.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -150.25 107.15 3.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -64.1 -50.29 68.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.543 ' C ' HD12 ' A' ' 8' ' ' ILE . . . 86.9 140.65 6.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.543 HD12 ' C ' ' A' ' 7' ' ' GLY . 4.9 mp -140.26 146.94 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.853 0.359 . . . . 0.0 111.194 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 9' ' ' LEU . 1.1 pt? -128.66 164.41 22.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -97.79 122.15 40.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.1 p -96.73 -58.29 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 13' ' ' SER . 1.6 tt -80.01 139.21 37.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.404 ' N ' HD23 ' A' ' 12' ' ' LEU . 14.5 t -53.36 168.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -160.04 167.6 27.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.128 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -82.69 174.79 10.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -41.47 -58.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.542 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 1.2 p90 -148.16 137.94 22.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.534 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.6 t70 -97.15 141.15 22.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.717 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.624 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 54.0 Cg_endo -69.74 -37.56 9.05 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.255 . . . . 0.0 112.365 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -69.46 -42.08 75.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.06 -43.83 90.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 18' ' ' ASP . 71.5 t -63.29 -48.03 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.502 HD13 HG23 ' A' ' 34' ' ' ILE . 42.4 mt -71.0 -27.61 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.2 46.14 5.67 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.439 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.08 160.98 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -109.49 171.67 7.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -52.92 -30.82 36.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 t -64.13 -23.99 67.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.31 131.94 43.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 32' ' ' ALA . 59.6 p -106.3 170.7 7.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.515 ' HA ' HD12 ' A' ' 34' ' ' ILE . 10.1 mm100 -40.51 -28.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -70.76 -61.43 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -55.74 -39.8 71.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 31' ' ' GLN . 28.9 mt -60.14 -58.72 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -50.31 -41.76 51.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -71.04 -34.55 71.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.44 77.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 39' ' ' LYS . 12.0 t80 -58.39 -64.29 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 38' ' ' TYR . 1.5 mptm? -34.35 -54.78 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.41 -57.32 10.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.436 HD23 ' CD1' ' A' ' 45' ' ' TRP . 4.9 mt -53.9 -46.1 71.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.22 86.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -70.13 -44.33 69.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -69.05 -57.65 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.591 ' CH2' ' NH1' ' A' ' 58' ' ' ARG . 80.7 m95 -79.79 10.75 3.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.433 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -51.98 107.29 0.8 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.57 0.7 . . . . 0.0 110.886 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.591 ' HD3' ' CD1' ' A' ' 59' ' ' PHE . 53.9 Cg_endo -69.72 -28.95 24.82 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -57.63 -28.83 64.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.96 -29.51 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -59.83 151.8 24.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -117.03 -31.19 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.13 134.6 95.87 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 110.852 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 110.84 2.67 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 138.04 -39.53 1.58 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 54' ' ' GLY . . . -36.92 -46.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 111.097 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -50.87 -47.79 60.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' HA ' HD12 ' A' ' 60' ' ' ILE . 36.3 t70 -42.77 -51.45 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.591 ' NH1' ' CH2' ' A' ' 45' ' ' TRP . 13.7 tpp85 -64.89 -48.29 74.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.591 ' CD1' ' HD3' ' A' ' 47' ' ' PRO . 37.8 t80 -46.39 -46.6 18.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 57' ' ' ASP . 30.5 mt -54.21 -50.85 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 64' ' ' LYS . 76.4 mt-30 -60.82 -59.27 5.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.9 mt -41.04 -43.39 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 t -74.68 -34.55 62.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLN . 56.8 mmtt -75.15 -17.02 60.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.624 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -88.69 -39.68 13.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.057 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -77.16 -42.43 37.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -45.77 -29.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 75' ' ' ARG . 82.8 mt -74.06 -48.38 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' SER . 11.2 mt -76.99 -58.02 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' LEU . 11.0 t -35.04 -50.88 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -78.45 123.36 26.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.421 ' CD ' ' HG3' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -58.39 -41.34 84.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.421 ' HG3' ' CD ' ' A' ' 72' ' ' GLU . 25.6 mt-10 -67.31 -56.55 9.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -53.72 -47.22 70.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' ILE . 33.2 ttp180 -52.45 -53.96 38.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.3 m -63.6 -40.93 98.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -60.07 -40.87 90.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -62.75 -41.87 99.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -70.75 -46.15 63.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -57.1 -31.46 65.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -68.24 -21.98 64.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 83' ' ' SER . . . 111.51 38.81 1.41 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' GLY . 21.1 p -35.82 -51.63 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.934 0.397 . . . . 0.0 110.875 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.12 -158.02 24.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.455 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 109.13 2.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.244 . . . . 0.0 112.362 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.6 p -125.13 138.75 54.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 55.7 m 60.97 40.97 14.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 m -98.71 169.95 9.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.915 0.388 . . . . 0.0 110.854 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -67.8 -48.58 65.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.819 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.14 83.95 0.81 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -85.35 171.3 11.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.915 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 m -141.92 111.13 6.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.41 52.51 0.17 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.545 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.3 mt -125.25 118.88 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 111.109 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.622 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.6 pt? -52.05 156.45 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -77.36 113.78 15.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' LEU . 3.7 t -95.31 -61.61 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.8 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' SER . 3.1 mp -36.4 -51.3 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 m -71.78 119.32 15.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.78 -39.14 15.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.456 ' H ' HD23 ' A' ' 15' ' ' LEU . 1.2 pt? -91.38 171.16 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -39.58 -53.64 2.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.459 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 6.0 p90 -138.63 144.2 39.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.838 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.6 t70 -89.65 138.35 28.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.851 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.463 ' HB2' HD21 ' A' ' 69' ' ' LEU . 53.9 Cg_endo -69.75 -37.36 9.29 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.651 2.234 . . . . 0.0 112.357 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -69.97 -38.05 75.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.7 mmm-85 -69.58 -47.28 64.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 18' ' ' ASP . 84.9 t -53.33 -57.21 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.502 ' CD1' HD12 ' A' ' 69' ' ' LEU . 70.9 mt -62.07 -27.96 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.19 45.31 5.94 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.468 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.36 176.83 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.01 178.28 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -63.66 -30.21 71.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.9 p -72.53 -14.5 61.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.16 126.36 25.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' ALA . 1.5 t -107.39 157.81 17.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' SER . 11.1 mm100 -34.15 -34.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -70.35 -57.66 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -42.72 82.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.421 HG23 HD13 ' A' ' 23' ' ' LEU . 48.3 mt -56.44 -57.82 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -50.03 -42.32 49.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -68.38 -39.57 81.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.63 -36.09 80.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.434 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 1.7 t80 -65.57 -60.49 2.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 22.6 mttt -44.85 -40.63 6.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -57.86 -64.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mt -52.31 -38.85 59.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.62 83.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -70.09 -44.99 67.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -70.63 -54.98 9.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.585 ' CH2' ' CZ ' ' A' ' 58' ' ' ARG . 84.8 m95 -80.91 12.84 2.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.9 t-80 -55.97 120.42 33.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.575 ' HD3' ' CD2' ' A' ' 59' ' ' PHE . 53.8 Cg_endo -69.74 -20.05 35.43 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.369 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.453 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 0.9 OUTLIER -70.57 -37.51 73.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -95.22 -30.06 14.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -71.37 125.76 27.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -99.26 -37.61 9.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.01 139.2 71.58 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 117.65 5.21 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.11 -40.98 1.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -37.18 -40.91 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.704 0.288 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 57' ' ' ASP . 32.4 tt0 -56.19 -54.84 40.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' GLU . 12.2 t70 -37.51 -57.9 0.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.585 ' CZ ' ' CH2' ' A' ' 45' ' ' TRP . 7.8 tpp85 -58.58 -47.84 82.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.811 ' HA ' HD12 ' A' ' 62' ' ' ILE . 10.7 t80 -48.67 -44.31 37.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.0 mt -54.44 -49.43 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -59.04 -47.87 83.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.811 HD12 ' HA ' ' A' ' 59' ' ' PHE . 20.9 mt -51.97 -51.23 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -63.1 -49.4 74.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -55.52 -41.77 73.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.417 ' HB2' HG11 ' A' ' 22' ' ' VAL . . . -59.33 -57.04 14.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.51 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 11.3 t80 -59.83 -45.69 91.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -39.48 -45.75 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 75' ' ' ARG . 52.2 mt -62.11 -47.37 93.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.502 HD12 ' CD1' ' A' ' 23' ' ' LEU . 11.4 mt -75.15 -65.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.51 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 3.1 t -37.97 -42.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -77.28 120.93 23.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.1 -40.63 81.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -63.8 -61.82 2.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -54.81 -47.68 73.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' ILE . 13.4 ttp180 -54.8 -57.48 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 56.2 m -58.43 -44.99 89.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -45.97 -49.51 15.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -54.3 -62.17 1.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.09 -55.42 20.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -52.31 -37.41 55.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -68.57 -22.12 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.93 34.31 61.49 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m -58.54 -50.46 73.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.62 145.45 16.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 86' ' ' SER . 53.3 Cg_endo -69.74 -4.53 14.2 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.737 2.291 . . . . 0.0 112.348 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 85' ' ' PRO . 99.4 p -34.79 -49.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.4 t -55.43 -60.57 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -77.03 -43.23 35.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -95.52 -54.97 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.23 93.92 0.47 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 m -64.08 128.72 37.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.83 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 m -92.51 144.31 25.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.47 96.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 8' ' ' ILE . 5.1 mp -109.74 142.17 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 pp -138.25 166.07 25.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -102.44 146.5 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -87.27 151.85 22.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.575 HD23 ' C ' ' A' ' 12' ' ' LEU . 5.4 tt -154.83 112.58 3.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.408 ' N ' HD23 ' A' ' 12' ' ' LEU . 70.8 m -133.43 132.9 41.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.63 -35.54 57.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.066 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.447 HD11 ' O ' ' A' ' 17' ' ' PHE . 1.4 pt? -118.3 169.36 9.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -39.31 -57.72 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.518 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 3.0 p90 -149.07 146.31 27.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.8 t70 -86.92 141.22 33.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 0.0 110.848 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.572 ' HB2' HD11 ' A' ' 69' ' ' LEU . 53.4 Cg_endo -69.79 -29.49 23.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -77.94 -39.06 43.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mmt85 -67.21 -46.19 74.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.831 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 18' ' ' ASP . 76.3 t -61.03 -58.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.557 ' O ' HD11 ' A' ' 41' ' ' LEU . 46.1 mt -62.83 -38.05 89.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.03 43.98 3.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.19 156.52 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.34 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 p -99.17 175.22 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -62.42 -29.17 70.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.6 p -82.78 -13.07 56.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.03 119.49 14.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' ASP . 2.7 m -101.49 170.78 7.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' SER . 0.9 OUTLIER -34.86 -57.45 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.56 -43.1 11.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' SER . 6.4 m-20 -71.84 -42.97 66.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 37' ' ' ALA . 58.0 mt -60.0 -61.1 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -39.91 -36.99 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -77.0 -37.11 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 34' ' ' ILE . . . -68.6 -32.92 73.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.401 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 2.6 t80 -73.88 -63.06 1.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 15.9 mttm -47.23 -43.09 21.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -58.13 -61.43 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.557 HD11 ' O ' ' A' ' 23' ' ' LEU . 9.5 mt -55.16 -40.49 70.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.95 78.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -74.19 -44.25 54.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.09 -54.83 7.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.461 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 72.1 m95 -76.79 7.57 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.586 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.7 t-160 -54.66 131.27 64.72 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.589 0.709 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.586 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 54.2 Cg_endo -69.7 -20.88 34.54 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.735 2.29 . . . . 0.0 112.364 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.419 ' HB3' ' ND1' ' A' ' 46' ' ' HIS . 1.0 OUTLIER -59.72 -46.27 89.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -90.67 -30.05 17.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 1.7 m120 -74.27 118.06 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -97.04 -36.47 10.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.96 140.54 61.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.599 0.714 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 116.04 4.38 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.651 2.234 . . . . 0.0 112.311 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' GLU . . . 131.86 -44.44 1.2 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.52 -31.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.737 0.303 . . . . 0.0 111.103 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' GLY . 42.8 tt0 -65.09 -55.42 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -35.91 -59.3 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 11.2 tpt180 -54.03 -53.86 47.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.554 ' HA ' HD12 ' A' ' 62' ' ' ILE . 38.9 t80 -46.43 -49.75 17.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.409 HG22 ' HD2' ' A' ' 64' ' ' LYS . 74.7 mt -49.62 -45.58 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -66.44 -57.93 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 59' ' ' PHE . 19.0 mt -41.3 -42.2 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -70.47 -41.74 72.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HD2' HG22 ' A' ' 60' ' ' ILE . 32.2 mtpt -62.57 -45.03 94.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.44 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -54.95 -46.95 75.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' A' ' 70' ' ' SER . 11.1 t80 -66.37 -49.14 67.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -38.82 -40.36 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.407 ' N ' ' HZ3' ' A' ' 74' ' ' LYS . 57.1 mt -68.31 -55.02 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.186 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' A' ' 19' ' ' PRO . 23.9 mt -69.64 -61.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.528 ' HB3' ' CE1' ' A' ' 66' ' ' TYR . 86.5 p -35.86 -38.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -80.68 144.6 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -79.86 -43.57 22.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.62 -53.27 57.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.407 ' HZ3' ' N ' ' A' ' 68' ' ' ILE . 38.6 mtpt -59.22 -61.72 2.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -43.43 -54.46 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.0 m -60.86 -51.77 67.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.429 ' OD1' ' C ' ' A' ' 77' ' ' ASN . 1.3 t30 -46.48 -45.49 18.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -77.96 -66.46 0.84 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.01 -59.43 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -49.82 -39.42 38.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -69.15 -21.85 63.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' SER . . . 54.35 31.08 50.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 82' ' ' GLY . 1.4 p -37.74 -37.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.831 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 37.68 -149.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 166.99 25.7 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 81.0 p -54.99 -52.38 63.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.5 p -102.0 127.09 49.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.526 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -123.18 135.49 54.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.844 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -121.24 158.87 27.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.54 45.68 6.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -77.63 -56.58 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.918 0.39 . . . . 0.0 110.88 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 m -61.77 -64.46 0.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.53 166.84 42.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.0 mm -118.3 131.27 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -50.52 -55.18 17.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 54.44 44.56 28.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.681 ' C ' HD12 ' A' ' 12' ' ' LEU . 91.1 p -84.62 104.98 15.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.681 HD12 ' C ' ' A' ' 11' ' ' SER . 9.3 mp -132.83 177.72 7.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.7 t -85.8 158.04 20.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.01 167.8 21.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.471 ' H ' HD23 ' A' ' 15' ' ' LEU . 2.1 pt? -85.23 177.97 7.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -44.94 -56.95 4.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.514 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 2.6 p90 -137.57 143.22 41.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.757 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -98.7 144.09 27.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -46.87 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -59.8 -44.36 94.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -65.89 -45.39 82.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 18' ' ' ASP . 47.6 t -55.71 -51.62 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.429 ' O ' HD11 ' A' ' 41' ' ' LEU . 80.7 mt -71.67 -29.64 64.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.39 41.0 5.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -123.69 162.36 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 111.101 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -111.56 175.15 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.806 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.4 ptt-85 -50.74 -45.04 58.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 t -52.87 -29.06 25.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.45 130.25 42.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 32' ' ' ALA . 29.7 m -115.55 172.23 7.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 30' ' ' SER . 17.6 mm100 -36.5 -32.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -68.34 -65.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -56.28 -40.39 74.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.8 mt -59.35 -60.06 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -52.07 -46.49 65.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -67.2 -29.74 69.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.71 -41.91 61.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' LYS . 10.1 t80 -59.47 -60.94 3.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' TYR . 1.5 mptm? -36.63 -58.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -46.76 -55.24 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.429 HD11 ' O ' ' A' ' 23' ' ' LEU . 9.1 mt -57.53 -46.29 84.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.33 78.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -72.11 -42.78 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -69.83 -57.43 5.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -83.03 16.38 2.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 48' ' ' ASP . 7.2 t60 -54.59 126.22 55.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.561 0.696 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.582 ' HD3' ' CD1' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.74 -28.06 25.83 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.584 ' HB3' ' CD2' ' A' ' 46' ' ' HIS . 34.4 t70 -65.74 -34.49 78.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -93.66 -30.05 15.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.475 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 35.9 m-20 -80.11 110.49 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.44 ' HE2' ' C ' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -88.48 -24.24 23.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.87 141.14 98.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.575 0.703 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 118.03 5.44 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.378 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.07 -45.5 1.14 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.26 -41.34 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.757 0.313 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -55.55 -55.02 36.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.518 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.9 t70 -40.88 -61.32 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -53.7 -47.75 70.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.582 ' CD1' ' HD3' ' A' ' 47' ' ' PRO . 31.9 t80 -50.82 -43.07 58.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 57' ' ' ASP . 53.1 mt -56.88 -40.21 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -64.5 -44.63 90.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 59' ' ' PHE . 22.3 mt -58.78 -47.22 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 t -66.69 -45.57 78.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -63.79 -33.77 76.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.421 ' HB2' HG11 ' A' ' 22' ' ' VAL . . . -68.61 -55.44 11.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 9.8 t80 -61.87 -43.26 99.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -39.76 -47.26 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.7 mt -57.43 -57.47 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 70' ' ' SER . 9.9 mt -65.67 -63.25 1.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.558 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 9.4 t -34.8 -42.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.481 ' CB ' ' HD3' ' A' ' 74' ' ' LYS . 4.6 m120 -79.49 131.65 36.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -59.49 -59.23 5.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -50.52 -65.66 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.481 ' HD3' ' CB ' ' A' ' 71' ' ' ASN . 6.9 mptt -47.37 -54.65 10.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.9 ttp85 -42.44 -54.19 3.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 83.1 m -65.77 -49.37 68.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -47.46 -46.68 27.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.509 ' CD2' ' HB2' ' A' ' 83' ' ' SER . 17.7 t80 -45.91 -58.29 3.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -53.27 -52.99 57.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -56.59 -32.84 65.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -72.76 -19.68 61.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 83' ' ' SER . . . 110.62 39.89 1.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.509 ' HB2' ' CD2' ' A' ' 78' ' ' TYR . 14.2 t -34.62 -52.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.952 0.406 . . . . 0.0 110.854 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -138.93 -112.92 1.09 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 88.6 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.5 t -123.53 142.01 51.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.1 m 60.48 42.28 14.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 p -40.08 -56.68 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.373 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -143.81 145.39 32.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.09 141.76 8.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -154.56 127.88 8.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -114.04 150.6 33.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.23 168.3 16.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.537 HG22 ' O ' ' A' ' 10' ' ' GLN . 5.2 mp -98.47 105.25 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.87 -44.14 96.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.537 ' O ' HG22 ' A' ' 8' ' ' ILE . 3.1 mp0 -74.47 164.42 26.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 m -145.71 146.0 31.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -49.0 -55.34 12.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.6 p -152.41 171.17 18.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.69 174.42 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.484 HD11 ' O ' ' A' ' 17' ' ' PHE . 1.8 pt? -98.4 177.97 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -49.42 -62.03 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 3.8 p90 -141.64 144.2 34.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.715 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.7 m-20 -92.76 142.08 25.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.628 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 54.0 Cg_endo -69.72 -42.71 3.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.638 2.226 . . . . 0.0 112.374 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -62.86 -40.06 96.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 12.0 mtp-105 -69.85 -46.34 65.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 18' ' ' ASP . 93.7 t -61.11 -57.09 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.687 HD12 ' CD1' ' A' ' 69' ' ' LEU . 83.3 mt -62.43 -38.81 91.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.96 44.17 3.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.401 ' HB ' ' CB ' ' A' ' 29' ' ' ALA . 3.6 m -127.66 159.86 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 111.098 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 m -115.36 174.83 5.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -44.33 -52.59 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.1 p -45.68 -34.53 3.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.401 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . . . -65.98 124.25 22.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 p -106.54 174.2 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.796 ' HA ' HD12 ' A' ' 34' ' ' ILE . 7.2 tp60 -38.43 -42.99 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.2 -61.53 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.14 -46.82 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.796 HD12 ' HA ' ' A' ' 31' ' ' GLN . 28.0 mt -49.42 -54.62 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.203 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.419 ' CG ' ' HE3' ' A' ' 39' ' ' LYS . 11.9 ttpp -56.31 -45.04 80.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.3 mmmt -62.16 -36.66 82.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.64 -44.21 67.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 39' ' ' LYS . 18.6 t80 -57.1 -65.0 0.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 38' ' ' TYR . 2.3 mptm? -34.45 -62.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -43.16 -52.98 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 mt -57.95 -39.07 77.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.02 84.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.1 -47.25 62.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.78 -50.58 62.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.561 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 90.2 m95 -88.44 11.95 15.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -51.99 110.56 1.93 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 -31.62 20.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.238 . . . . 0.0 112.378 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.38 -30.56 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -106.16 -27.88 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -62.43 139.71 58.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -104.7 -27.32 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.35 133.63 95.72 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 104.41 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 143.27 -32.21 1.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' GLY . . . -37.12 -40.79 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.751 0.31 . . . . 0.0 111.077 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' ASP . 10.4 tt0 -53.33 -64.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' GLU . 21.5 t0 -36.85 -62.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.561 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 4.9 tpt180 -43.63 -52.77 6.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.761 ' HA ' HD12 ' A' ' 62' ' ' ILE . 11.1 t80 -57.26 -43.32 82.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 mm -47.41 -39.12 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.195 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -74.37 -47.16 35.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.761 HD12 ' HA ' ' A' ' 59' ' ' PHE . 24.1 mt -53.01 -46.71 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t -66.81 -45.33 78.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -59.04 -43.95 91.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.628 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -61.57 -52.51 64.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.462 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 12.9 t80 -61.07 -42.09 97.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -40.01 -47.29 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.8 -55.83 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.687 ' CD1' HD12 ' A' ' 23' ' ' LEU . 3.6 mt -63.75 -65.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.462 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 7.7 t -37.4 -39.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -75.13 125.28 28.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -61.34 -45.38 94.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.65 -61.1 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -51.26 -49.29 61.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.0 ttp85 -53.61 -61.94 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 36.4 m -52.84 -50.26 64.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -45.77 -47.24 15.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -51.94 -62.62 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -50.4 -53.0 32.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -52.81 -36.45 58.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -70.29 -22.03 62.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.94 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 57.11 35.91 72.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.3 m -73.16 132.83 43.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.943 0.401 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.14 -157.18 27.3 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -4.93 15.04 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.731 2.288 . . . . 0.0 112.305 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 84.1 p -105.28 123.54 48.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.1 t -110.07 143.87 39.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 p -41.97 -53.14 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 m -78.91 -58.5 3.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.44 64.83 3.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 t -137.93 116.89 12.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 m -55.93 -54.21 47.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.815 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.9 83.79 1.76 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -87.1 148.55 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.875 0.369 . . . . 0.0 111.17 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.816 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -138.22 167.63 21.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -119.41 149.26 42.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 t -118.58 147.24 43.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.787 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -114.75 -1.2 13.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.6 p -44.61 -52.85 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.27 -48.8 80.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -168.05 177.98 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -43.75 -68.1 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 4.2 p90 -120.68 155.06 34.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.583 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.2 m-20 -87.86 142.29 32.24 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.609 0.719 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -43.13 2.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.32 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -62.15 -38.42 88.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -69.0 -44.47 72.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 18' ' ' ASP . 91.5 t -66.9 -47.47 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.78 HD12 HD12 ' A' ' 69' ' ' LEU . 9.7 mt -74.48 -34.13 63.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.35 58.21 2.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.523 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.17 157.68 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.125 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 p -95.72 178.06 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 mtm-85 -66.78 -28.97 68.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.4 p -84.98 -10.14 57.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.07 112.56 9.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' ASP . 51.9 p -97.51 171.97 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.703 ' HA ' HD12 ' A' ' 34' ' ' ILE . 11.7 mm100 -34.38 -57.34 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.18 -41.95 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' SER . 1.2 m-20 -75.21 -37.88 60.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 31' ' ' GLN . 30.4 mt -62.47 -60.24 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -37.4 -52.93 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -59.7 -38.08 80.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' ILE . . . -67.14 -42.69 83.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -65.21 -55.74 16.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -54.15 -52.31 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.9 tttp -49.9 -42.77 48.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mt -71.37 -46.08 61.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.945 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.31 -34.86 71.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -71.59 -40.69 69.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -70.17 -58.76 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.56 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 83.5 m95 -80.19 11.69 3.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.409 ' ND1' ' HD2' ' A' ' 47' ' ' PRO . 0.5 OUTLIER -53.09 115.26 7.16 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.574 0.702 . . . . 0.0 110.853 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.409 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.9 Cg_endo -69.74 -17.13 37.81 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.2 -39.47 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -96.82 -29.83 13.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -73.9 134.18 43.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -104.99 -32.58 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.78 142.22 44.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 0.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 117.85 5.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 127.13 -36.08 2.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' GLY . . . -37.07 -39.27 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 0.0 111.089 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ASP . 22.3 tt0 -61.1 -64.36 0.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' GLU . 3.2 t0 -37.55 -60.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.56 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 9.1 tpt85 -51.26 -46.37 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.48 ' HA ' HD12 ' A' ' 62' ' ' ILE . 28.3 t80 -60.62 -33.55 72.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.569 HG22 ' NZ ' ' A' ' 64' ' ' LYS . 5.2 mm -57.42 -41.49 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' LYS . 27.4 mt-30 -70.78 -60.22 2.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 59' ' ' PHE . 23.2 mt -38.47 -40.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -73.83 -39.57 63.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.569 ' NZ ' HG22 ' A' ' 60' ' ' ILE . 25.4 mtmm -70.91 -15.81 62.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.92 -27.73 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' A' ' 70' ' ' SER . 10.0 t80 -85.34 -46.49 10.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.412 ' CD ' ' HA ' ' A' ' 64' ' ' LYS . 13.3 pt-20 -40.49 -33.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 40.8 mt -72.82 -50.64 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.78 HD12 HD12 ' A' ' 23' ' ' LEU . 15.8 mt -76.38 -59.04 2.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.946 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.535 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 32.3 t -34.56 -51.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -70.68 132.77 45.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -65.57 -39.39 91.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.54 -68.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -46.29 -44.93 16.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -56.96 -58.01 10.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 60.3 m -56.1 -41.66 75.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -54.55 -31.14 55.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.77 -56.99 7.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.97 -36.89 82.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.848 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -69.82 -17.06 63.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -76.32 -11.85 59.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.76 33.75 2.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.8 t -54.13 121.44 8.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.55 137.55 9.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 121.21 7.9 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.631 2.221 . . . . 0.0 112.341 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.6 t -138.31 147.95 44.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 t -123.92 147.43 47.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.845 0.355 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.534 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 2.5 p90 -151.22 143.03 23.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.822 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -87.62 142.98 33.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.845 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.535 ' CE2' HD21 ' A' ' 69' ' ' LEU . 58.9 m-85 -55.84 -42.79 76.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.1 mmt-85 -64.93 -39.9 94.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 18' ' ' ASP . 74.5 t -64.0 -57.86 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.52 HD13 HG23 ' A' ' 34' ' ' ILE . 42.5 mt -61.85 -33.61 74.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.34 42.08 3.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -133.52 169.11 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.318 . . . . 0.0 111.182 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -115.87 176.19 5.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -53.0 -37.4 61.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.4 m -58.11 -24.72 59.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.69 128.31 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' ALA . 3.5 m -106.79 169.06 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' SER . 12.0 mm-40 -35.61 -33.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -68.61 -61.11 1.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -56.68 -46.06 81.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.52 HG23 HD13 ' A' ' 23' ' ' LEU . 35.1 mt -61.56 -49.8 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 2.0 tmmm? -54.0 -61.06 2.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 35' ' ' LYS . 49.4 tttt -52.47 -42.5 64.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.72 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.404 ' CG ' ' CD2' ' A' ' 66' ' ' TYR . 2.9 t80 -66.92 -63.42 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -53.32 -42.94 67.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -58.78 -42.87 90.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.636 HD23 ' CD1' ' A' ' 45' ' ' TRP . 7.2 mt -72.87 -38.7 66.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.75 -37.33 82.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.5 mtp85 -74.74 -44.51 49.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -69.94 -53.21 18.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.636 ' CD1' HD23 ' A' ' 41' ' ' LEU . 79.2 m95 -84.05 14.46 4.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.586 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.8 t-80 -58.68 137.01 86.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.586 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 53.7 Cg_endo -69.7 -16.87 38.0 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.25 -43.47 92.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.62 -30.03 13.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.435 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 38.9 m-20 -72.39 124.46 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -111.07 -30.75 7.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.13 144.21 50.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 116.94 4.79 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.0 -36.86 2.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -40.75 -56.54 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.777 0.322 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 57' ' ' ASP . 5.0 mp0 -42.21 -60.34 1.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' GLU . 8.2 t70 -36.16 -59.15 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -50.17 -54.53 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -51.8 -56.99 10.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 57' ' ' ASP . 41.1 mt -44.72 -41.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -73.08 -55.57 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.447 HD13 ' HB3' ' A' ' 41' ' ' LEU . 62.4 mt -42.25 -45.14 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 t -64.87 -41.24 95.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -63.73 -46.71 84.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.1 -48.66 61.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.547 ' CD1' ' HB2' ' A' ' 70' ' ' SER . 11.0 t80 -69.76 -44.02 71.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -39.38 -41.46 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.6 mt -67.63 -64.26 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.535 HD21 ' CE2' ' A' ' 20' ' ' TYR . 14.0 mt -60.17 -60.94 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.547 ' HB2' ' CD1' ' A' ' 66' ' ' TYR . 8.6 t -34.57 -50.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -71.76 132.63 44.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -65.45 -51.1 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -57.98 -50.32 73.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -60.83 -48.74 80.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.8 ttp85 -55.08 -58.5 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 87.8 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.944 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.836 0.35 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.515 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 3.4 p90 -143.33 148.18 35.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.547 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.5 t70 -101.36 141.23 22.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.524 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 54.3 Cg_endo -69.7 -35.17 13.32 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -73.3 -41.73 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.8 mtt-85 -68.55 -40.56 80.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 18' ' ' ASP . 42.7 t -64.77 -58.19 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.6 ' O ' HD11 ' A' ' 41' ' ' LEU . 44.4 mt -62.33 -34.0 75.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.47 48.69 3.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -130.79 159.61 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -109.21 174.1 6.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -50.53 -37.42 39.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 t -57.85 -26.26 61.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.12 134.41 46.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 32' ' ' ALA . 9.3 m -119.06 174.21 6.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -38.15 -30.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -72.31 -61.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -57.69 -37.35 73.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.522 HG22 ' CE1' ' A' ' 66' ' ' TYR . 47.9 mt -63.71 -54.78 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -57.9 -34.49 69.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -75.75 -41.45 53.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.59 86.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.561 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 1.6 t80 -58.78 -67.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.944 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.561 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 53.2 mttt -38.19 -59.33 0.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 40' ' ' LYS . 8.2 mptt -45.28 -60.29 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.6 HD11 ' O ' ' A' ' 23' ' ' LEU . 6.0 mt -47.07 -53.24 13.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.47 -35.75 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -67.45 -41.19 85.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.96 -55.93 5.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -77.44 8.41 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.579 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.8 t-80 -53.73 132.52 56.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.539 0.685 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.579 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 53.5 Cg_endo -69.77 -32.71 18.0 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.679 2.253 . . . . 0.0 112.369 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -53.94 -42.13 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -89.19 -29.89 18.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.606 ' ND2' ' HB1' ' A' ' 55' ' ' ALA . 32.4 m-20 -81.09 132.02 35.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -111.4 -36.94 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -53.75 144.31 35.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 116.14 4.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 129.48 -43.8 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.606 ' HB1' ' ND2' ' A' ' 50' ' ' ASN . . . -37.07 -46.59 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -55.61 -48.69 74.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -44.25 -61.3 1.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -51.27 -55.36 18.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.777 ' HA ' HD12 ' A' ' 62' ' ' ILE . 36.4 t80 -42.8 -43.8 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.6 mt -58.6 -46.72 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -58.1 -45.34 87.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 59' ' ' PHE . 41.0 mt -52.03 -54.44 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.177 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 t -59.31 -51.32 70.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -54.85 -39.25 68.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.524 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -63.63 -44.91 92.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 70' ' ' SER . 13.9 t80 -66.18 -42.84 88.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -39.28 -51.26 2.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.9 mt -49.45 -54.06 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.431 HD13 HG21 ' A' ' 34' ' ' ILE . 4.8 mt -72.05 -62.77 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 66' ' ' TYR . 46.0 p -41.84 -25.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.816 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' LEU . 19.2 t-20 -90.07 131.59 35.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -62.98 -55.55 24.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -51.13 -67.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -45.89 -60.0 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -52.75 -36.46 57.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.3 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.917 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.891 0.376 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 7.5 p90 -137.09 158.32 44.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.644 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -93.81 141.66 24.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.639 0.733 . . . . 0.0 110.833 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.83 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.475 ' CE1' HD21 ' A' ' 69' ' ' LEU . 68.2 m-85 -56.96 -36.41 70.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -71.42 -40.41 70.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.666 HG11 ' HB2' ' A' ' 65' ' ' ALA . 51.1 t -63.1 -57.26 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 66' ' ' TYR . 35.3 mt -58.95 -33.9 71.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.58 35.55 4.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -122.87 163.43 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 111.136 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 1.8 m -115.2 168.52 9.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -40.87 -55.02 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.6 t -43.83 -35.85 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 26' ' ' SER . . . -62.58 128.87 38.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' GLN . 4.0 t -109.71 174.05 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.769 ' HA ' HD12 ' A' ' 34' ' ' ILE . 12.6 mm-40 -36.32 -63.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.44 -60.93 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.436 ' OD1' ' C ' ' A' ' 33' ' ' ASP . 3.5 t0 -52.7 -46.92 67.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.769 HD12 ' HA ' ' A' ' 31' ' ' GLN . 55.7 mt -51.69 -65.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -40.87 -49.38 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -62.95 -37.81 88.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.6 82.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.543 ' CG ' ' CD2' ' A' ' 66' ' ' TYR . 17.6 t80 -60.52 -67.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -36.58 -59.28 0.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 40' ' ' LYS . 8.6 tmtt? -44.4 -52.0 8.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.459 HD23 ' CD1' ' A' ' 45' ' ' TRP . 10.7 mt -65.64 -35.34 80.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.31 71.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -77.5 -43.81 30.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.27 -53.62 13.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.459 ' CD1' HD23 ' A' ' 41' ' ' LEU . 76.5 m95 -83.17 12.78 4.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.432 ' ND1' ' HB2' ' A' ' 48' ' ' ASP . 1.7 t-160 -56.28 125.75 66.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.85 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 54.2 Cg_endo -69.72 -26.28 27.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.432 ' HB2' ' ND1' ' A' ' 46' ' ' HIS . 4.3 m-20 -62.08 -36.59 82.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -96.6 -29.99 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.475 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 31.0 m-20 -74.4 118.68 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -99.17 -34.68 10.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -56.21 141.53 69.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.627 0.727 . . . . 0.0 110.834 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.02 5.43 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.06 -40.25 1.67 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -43.31 -42.41 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.724 0.297 . . . . 0.0 111.084 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -57.64 -55.22 37.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.444 ' HA ' HD12 ' A' ' 60' ' ' ILE . 18.1 t0 -42.4 -58.55 2.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -57.12 -47.66 80.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.413 ' CD1' ' HD3' ' A' ' 47' ' ' PRO . 72.4 t80 -47.29 -48.54 24.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 57' ' ' ASP . 34.8 mt -51.79 -48.43 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.41 ' OE1' ' CE2' ' A' ' 17' ' ' PHE . 12.2 mm100 -58.66 -48.59 80.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.6 mt -54.41 -53.75 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 t -62.23 -47.14 85.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -61.73 -29.5 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.666 ' HB2' HG11 ' A' ' 22' ' ' VAL . . . -72.14 -51.0 23.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.702 ' HB2' HD21 ' A' ' 23' ' ' LEU . 9.4 t80 -67.39 -44.25 79.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -38.52 -45.33 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 75.6 mt -55.35 -66.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.475 HD21 ' CE1' ' A' ' 20' ' ' TYR . 33.5 mt -56.53 -54.69 42.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 69' ' ' LEU . 22.2 t -34.25 -49.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 73' ' ' GLU . 20.5 t-20 -72.35 123.59 23.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 7.6 pt-20 -56.82 -37.19 70.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.469 ' N ' ' OD1' ' A' ' 71' ' ' ASN . 2.8 tt0 -71.19 -67.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.417 ' HE2' ' CB ' ' A' ' 71' ' ' ASN . 36.4 mtmt -45.23 -43.36 10.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.9 ttt-85 -57.91 -62.74 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 31.9 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 t70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.338 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 4.9 p90 -157.32 158.23 35.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.465 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.1 m-20 -100.58 143.37 26.41 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.642 0.734 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.47 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 54.0 Cg_endo -69.71 -38.27 8.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.352 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -69.9 -41.78 74.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -64.94 -45.82 84.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 18' ' ' ASP . 55.5 t -61.63 -58.88 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.633 HD21 ' HB2' ' A' ' 66' ' ' TYR . 27.6 mt -56.57 -36.75 69.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.19 38.61 3.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -125.37 165.78 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -115.07 173.46 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -21.08 49.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.4 p -72.88 -14.74 61.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.88 132.81 34.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' GLN . 35.1 m -97.96 162.63 13.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.886 ' HA ' HD12 ' A' ' 34' ' ' ILE . 15.5 tp60 -35.68 -49.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.66 -66.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -43.15 -40.68 3.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.886 HD12 ' HA ' ' A' ' 31' ' ' GLN . 45.5 mt -56.16 -56.67 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -41.21 -60.44 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -51.11 -37.69 47.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.78 85.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.451 ' CG ' ' CD2' ' A' ' 66' ' ' TYR . 3.9 t80 -62.46 -52.64 62.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -39.71 -60.45 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -46.1 -65.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.574 ' HB3' HD13 ' A' ' 62' ' ' ILE . 35.2 mt -48.69 -38.58 21.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.42 -33.15 73.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.071 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -76.43 -45.32 31.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -71.59 -54.53 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.488 ' CE3' ' HB3' ' A' ' 58' ' ' ARG . 84.4 m95 -80.5 12.83 2.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.49 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.2 t-80 -54.42 115.79 9.31 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.594 0.712 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.58 ' HD3' ' CD2' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.79 -25.16 28.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.49 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 3.9 m-20 -65.25 -32.15 73.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -100.97 -30.11 11.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 25.6 m-20 -77.53 115.89 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.04 -33.2 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -55.95 142.06 65.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.566 0.698 . . . . 0.0 110.904 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 118.18 5.53 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.83 -43.89 1.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -44.64 -40.96 6.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.728 0.299 . . . . 0.0 111.056 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ASP . 13.4 tt0 -60.88 -55.67 30.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' HA ' HD12 ' A' ' 60' ' ' ILE . 2.2 t70 -36.19 -62.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.488 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 10.6 tpt180 -52.61 -55.31 23.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.58 ' CD2' ' HD3' ' A' ' 47' ' ' PRO . 7.0 t80 -44.04 -54.68 5.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 57' ' ' ASP . 54.8 mt -45.08 -45.48 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.68 -45.94 84.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.574 HD13 ' HB3' ' A' ' 41' ' ' LEU . 35.5 mt -55.71 -61.11 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 t -49.69 -46.49 50.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -64.03 -37.7 88.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.47 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -64.24 -53.08 54.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.633 ' HB2' HD21 ' A' ' 23' ' ' LEU . 15.7 t80 -66.62 -47.69 71.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -38.66 -51.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.1 mt -52.72 -53.77 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.433 HD12 HD12 ' A' ' 23' ' ' LEU . 24.1 mt -65.09 -61.89 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.508 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 10.5 t -38.42 -47.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.478 ' CB ' ' HD3' ' A' ' 74' ' ' LYS . 8.1 m-80 -76.46 116.31 17.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -55.5 -40.59 71.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -59.02 -60.15 4.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.478 ' HD3' ' CB ' ' A' ' 71' ' ' ASN . 0.2 OUTLIER -57.4 -54.85 42.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -44.45 -53.14 7.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 79.3 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 -179.926 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.9 t0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.853 0.358 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 1.5 p90 -157.83 138.24 12.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.815 ' O ' HG23 ' A' ' 22' ' ' VAL . 19.0 m-20 -93.58 142.84 25.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.619 0.723 . . . . 0.0 110.851 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -45.51 1.52 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.349 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.514 ' HE1' HD22 ' A' ' 69' ' ' LEU . 6.4 m-85 -61.67 -37.12 82.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -70.57 -43.44 69.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 18' ' ' ASP . 94.4 t -59.48 -56.13 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.3 mt -63.61 -33.19 75.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.27 47.05 3.92 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 m -131.32 165.54 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.86 178.08 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -57.12 -31.27 65.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 t -65.56 -22.14 66.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.48 130.32 42.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' GLN . 50.1 p -113.0 172.45 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 30' ' ' SER . 17.3 mm-40 -36.94 -40.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.15 -63.9 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -51.44 -45.28 62.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.519 HG22 ' CD1' ' A' ' 66' ' ' TYR . 74.8 mt -59.92 -65.9 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -47.81 -38.87 16.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -69.53 -40.58 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.23 -38.78 82.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -60.77 -60.44 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -47.95 -59.0 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -48.16 -46.36 34.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mt -62.94 -41.76 99.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.08 92.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -66.84 -43.75 82.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.49 -54.21 11.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -82.54 17.21 1.84 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -61.79 132.51 93.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.81 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -29.39 24.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.728 2.285 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.45 -36.18 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -95.61 -30.17 13.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -77.82 131.76 37.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -101.27 -32.64 10.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.66 131.93 71.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.562 0.696 . . . . 0.0 110.903 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 117.74 5.26 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.752 2.301 . . . . 0.0 112.36 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 129.42 -38.91 1.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' GLY . . . -37.05 -39.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -52.73 -49.6 65.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.89 -57.87 3.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -57.58 -48.49 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.465 ' HA ' HD12 ' A' ' 62' ' ' ILE . 83.4 t80 -47.57 -44.97 26.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.0 mt -60.18 -48.12 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -61.31 -46.93 88.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 59' ' ' PHE . 79.6 mt -49.61 -47.37 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -69.61 -45.42 68.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.437 ' HA ' ' CD ' ' A' ' 67' ' ' GLU . 53.2 mmtt -63.12 -22.92 67.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.64 -34.39 27.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.562 ' CE1' ' HB3' ' A' ' 70' ' ' SER . 17.6 t80 -78.63 -49.69 12.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.437 ' CD ' ' HA ' ' A' ' 64' ' ' LYS . 13.9 pt-20 -42.76 -36.5 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.44 -57.46 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.514 HD22 ' HE1' ' A' ' 20' ' ' TYR . 24.0 mt -65.66 -57.92 6.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.562 ' HB3' ' CE1' ' A' ' 66' ' ' TYR . 60.7 p -34.56 -49.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -79.72 131.18 35.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -59.07 -54.14 50.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -49.51 -67.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -49.97 -49.92 48.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.4 ttp85 -48.38 -59.0 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 94.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.815 0.341 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.6 p90 -149.18 147.35 28.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.798 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.8 t70 -93.53 141.16 23.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.592 0.711 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 54.0 Cg_endo -69.77 -41.86 3.9 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.332 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -69.44 -42.62 74.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -63.66 -47.65 80.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 18' ' ' ASP . 99.2 t -59.59 -64.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.6 mt -53.38 -34.3 57.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.64 46.32 3.22 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.414 ' HB ' ' HB2' ' A' ' 29' ' ' ALA . 0.8 OUTLIER -131.05 177.33 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 111.114 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.446 ' HB3' HG22 ' A' ' 28' ' ' THR . 1.1 t -113.52 178.14 4.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.9 mmm-85 -63.84 -26.96 68.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.446 HG22 ' HB3' ' A' ' 26' ' ' SER . 9.0 t -76.64 -8.84 58.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.414 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . . . -60.33 123.46 17.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 32' ' ' ALA . 3.6 m -100.35 157.27 16.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 30' ' ' SER . 51.1 mm-40 -34.36 -33.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -70.53 -59.44 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.063 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.61 -43.57 80.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.4 mt -62.32 -54.8 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -51.88 -44.11 63.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -66.0 -37.23 85.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.69 -29.58 63.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -73.9 -65.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 43' ' ' ARG . 22.3 mttm -43.41 -44.45 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -59.64 4.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.6 mt -59.0 -57.9 11.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.5 -38.39 20.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 39' ' ' LYS . 79.7 mtt180 -65.55 -45.18 84.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -68.7 -54.92 13.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.409 ' CD1' ' CD1' ' A' ' 62' ' ' ILE . 79.7 m95 -78.9 8.22 5.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CE1' ' HB3' ' A' ' 48' ' ' ASP . 4.5 t-80 -54.23 125.2 49.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.605 0.716 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.411 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.9 Cg_endo -69.77 -1.04 7.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.497 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -77.88 -37.74 47.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -101.35 -29.94 11.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.464 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 30.3 m-20 -69.26 121.05 16.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -101.64 -33.16 10.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.24 141.68 76.85 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.0 5.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.356 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.14 -39.44 1.85 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.03 -36.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 111.091 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ASP . 24.3 tt0 -58.29 -63.73 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' GLU . 3.2 m-20 -36.75 -60.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -45.54 53.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -63.22 -32.86 74.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.6 mm -58.03 -37.76 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -77.37 -47.29 20.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.409 ' CD1' ' CD1' ' A' ' 45' ' ' TRP . 50.1 mt -54.69 -45.79 73.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 t -69.84 -44.86 69.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -61.67 -35.92 79.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.34 82.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.425 ' CD2' ' HB2' ' A' ' 70' ' ' SER . 16.8 t80 -67.38 -44.78 78.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -38.41 -40.07 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 34.1 mt -68.53 -58.27 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 70' ' ' SER . 32.0 mt -64.96 -60.82 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 69' ' ' LEU . 4.6 t -34.55 -48.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -84.14 130.81 34.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -64.19 -48.19 76.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -51.73 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -55.78 -51.78 66.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -47.24 -61.48 1.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 82.1 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.7 p90 -144.09 148.09 34.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.32 144.06 27.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.719 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -43.66 2.53 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.325 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -62.54 -37.45 86.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -68.44 -43.81 76.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.0 t -61.46 -53.89 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.569 HD13 HG23 ' A' ' 34' ' ' ILE . 59.6 mt -65.77 -34.47 78.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.54 44.98 3.56 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -136.25 165.39 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.108 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -111.73 174.25 5.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -51.95 -33.86 39.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.429 ' N ' ' HG2' ' A' ' 27' ' ' ARG . 24.1 p -59.64 -24.74 64.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' A' ' 33' ' ' ASP . . . -72.86 127.78 33.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' ALA . 8.0 m -107.35 169.86 8.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' SER . 2.1 tp60 -34.67 -33.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -68.38 -59.64 3.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.496 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 6.0 t0 -60.03 -44.42 94.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.569 HG23 HD13 ' A' ' 23' ' ' LEU . 32.7 mt -61.38 -49.37 84.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -56.09 -55.95 26.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -59.31 -39.46 83.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.99 -39.11 90.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -62.65 -58.98 5.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -59.55 2.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -42.33 -51.92 4.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mt -60.39 -56.99 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.49 -41.26 29.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.5 mtt85 -62.72 -45.14 94.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -68.73 -57.78 5.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.508 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 82.9 m95 -77.51 8.52 4.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.417 ' ND1' ' HD2' ' A' ' 47' ' ' PRO . 1.3 t-80 -51.97 115.84 7.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.521 ' HD3' ' CG ' ' A' ' 59' ' ' PHE . 53.4 Cg_endo -69.72 -8.2 23.0 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.742 2.295 . . . . 0.0 112.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -77.6 -37.29 50.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -99.27 -27.19 13.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.515 HD22 ' HB1' ' A' ' 55' ' ' ALA . 33.7 m-20 -73.47 132.27 42.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.38 -35.44 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -53.13 137.28 48.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 112.42 3.07 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.71 -40.24 1.64 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.515 ' HB1' HD22 ' A' ' 50' ' ' ASN . . . -40.05 -44.66 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -55.77 -45.18 78.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -49.63 -49.94 45.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.508 ' HG2' ' CD2' ' A' ' 45' ' ' TRP . 20.4 tpt85 -62.91 -44.59 95.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.582 ' HA ' HD12 ' A' ' 62' ' ' ILE . 46.1 t80 -53.66 -42.94 68.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.3 mt -56.63 -44.48 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.163 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -62.39 -51.71 66.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 59' ' ' PHE . 20.0 mt -50.81 -51.72 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -58.97 -46.06 89.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -60.04 -40.67 90.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.23 -51.65 69.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.52 ' CD1' HG22 ' A' ' 34' ' ' ILE . 12.2 t80 -66.09 -44.37 84.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -38.55 -47.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.29 -62.26 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' SER . 11.8 mt -61.24 -63.74 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.474 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 19.7 t -37.05 -49.42 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -76.98 128.03 33.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -61.86 -47.48 84.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -52.42 -61.45 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -56.08 -54.02 50.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -46.78 -57.4 4.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 5.0 p90 -151.29 150.18 30.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.724 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.3 m-20 -94.65 144.01 27.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 54.0 Cg_endo -69.79 -46.88 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -61.35 -41.74 97.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -65.46 -43.94 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 18' ' ' ASP . 54.2 t -58.09 -56.02 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.45 HD13 HG23 ' A' ' 34' ' ' ILE . 36.3 mt -65.47 -28.65 69.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.28 39.65 5.97 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -129.98 175.23 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 111.092 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -114.98 173.53 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.2 ptt-85 -56.32 -30.05 62.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.1 p -66.96 -20.78 65.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.64 129.55 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 32' ' ' ALA . 21.9 t -106.4 165.73 11.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' SER . 57.4 mm-40 -35.6 -34.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -67.42 -61.92 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -55.41 -42.79 74.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.475 HG22 ' CD1' ' A' ' 66' ' ' TYR . 33.2 mt -64.55 -55.24 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -55.81 -27.37 50.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -85.71 -36.13 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.26 -23.85 60.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.096 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.546 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 1.8 t80 -75.55 -66.96 0.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.546 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 18.4 mttt -45.55 -45.05 13.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.51 -57.5 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mt -61.36 -58.8 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.417 ' HB1' ' HE1' ' A' ' 59' ' ' PHE . . . -48.27 -28.38 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -79.07 -38.66 35.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -74.15 -53.71 9.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -80.56 10.48 4.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.574 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.8 t-80 -59.43 135.16 88.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.574 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 53.8 Cg_endo -69.77 -34.82 13.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.284 . . . . 0.0 112.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.44 -34.53 66.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -100.07 -30.11 12.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.404 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 3.7 m120 -80.06 107.91 13.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -38.09 65.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -53.7 132.83 55.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.733 . . . . 0.0 110.854 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 118.47 5.7 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.12 -33.15 3.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.52 -36.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.723 0.297 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.55 -50.79 70.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -38.61 -56.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -56.5 -52.93 62.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.417 ' HE1' ' HB1' ' A' ' 42' ' ' ALA . 52.7 t80 -45.21 -43.43 10.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.3 mt -57.14 -51.32 70.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -59.53 -49.29 78.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 32.2 mt -53.83 -48.08 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 t -67.12 -45.71 76.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -58.57 -37.76 76.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.407 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -63.85 -47.86 79.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 9.3 t80 -65.81 -45.75 81.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -42.09 -32.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.7 mt -70.93 -64.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.3 mt -59.9 -53.86 52.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.541 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 23.0 t -34.86 -52.33 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -81.75 138.27 35.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -63.07 -59.92 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -47.22 -53.59 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -60.57 -36.78 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -66.68 -41.09 88.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.5 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.896 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.825 0.345 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.0 p90 -157.03 143.91 18.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.92 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.6 m-20 -94.9 143.37 26.03 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.606 0.717 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.548 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 53.8 Cg_endo -69.7 -48.32 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -62.2 -41.53 98.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -63.86 -40.49 96.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 18' ' ' ASP . 88.8 t -65.07 -53.06 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' A' ' 66' ' ' TYR . 90.6 mt -69.72 -15.45 63.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.04 44.45 54.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.497 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.42 168.7 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 111.144 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -116.96 178.07 4.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.466 ' H ' ' CD ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -63.19 -20.47 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.0 p -74.54 -16.62 60.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.97 126.83 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' GLN . 89.5 p -104.01 166.07 10.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.579 ' HA ' HD12 ' A' ' 34' ' ' ILE . 32.1 tp60 -37.03 -34.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.16 -58.5 4.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -59.85 -40.9 90.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 31' ' ' GLN . 27.4 mt -56.06 -48.63 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.3 tttt -57.42 -43.91 84.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -66.97 -31.98 72.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.99 -43.65 74.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.076 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -57.89 -62.32 1.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -38.05 -67.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -41.78 -57.77 2.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.473 HD23 ' CD1' ' A' ' 45' ' ' TRP . 8.8 mt -54.23 -37.28 64.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.08 -35.6 71.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -73.45 -42.24 62.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -74.0 -53.77 9.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.473 ' CD1' HD23 ' A' ' 41' ' ' LEU . 86.5 m95 -81.42 15.61 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.558 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.8 t-80 -61.02 134.88 93.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.562 0.696 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.558 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 54.0 Cg_endo -69.71 -32.99 17.7 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.47 -34.16 70.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -95.66 -30.04 13.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 34.2 m-20 -79.87 119.52 22.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -97.91 -25.12 15.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.1 141.7 98.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.634 0.73 . . . . 0.0 110.871 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 116.51 4.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 57' ' ' ASP . . . 129.52 -41.57 1.53 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -36.98 -39.31 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.743 ' OE2' HD11 ' A' ' 60' ' ' ILE . 11.7 tm-20 -62.17 -45.91 91.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' GLY . 31.2 t0 -48.06 -53.21 17.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.1 tpp85 -64.93 -47.41 77.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -45.92 -35.8 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.743 HD11 ' OE2' ' A' ' 56' ' ' GLU . 64.1 mt -69.95 -47.3 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -58.82 -38.35 78.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.5 mt -61.01 -47.5 93.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 t -68.2 -43.14 78.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -60.36 -37.15 79.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.548 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -64.46 -57.73 8.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.517 ' CE1' HG22 ' A' ' 34' ' ' ILE . 13.4 t80 -56.65 -43.34 80.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -38.42 -51.08 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.7 mt -53.08 -51.0 42.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 70' ' ' SER . 7.8 mt -72.82 -64.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.471 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 8.7 t -34.33 -52.41 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -70.71 107.02 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -40.14 -60.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -46.29 -65.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -44.41 -49.57 9.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.946 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.3 ttp85 -57.09 -61.93 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 63.3 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 -179.913 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.842 0.353 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.519 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 2.5 p90 -140.63 144.78 35.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.588 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.2 m-20 -93.56 143.15 26.15 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -43.17 2.83 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.713 2.275 . . . . 0.0 112.315 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -64.51 -39.83 94.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -64.49 -44.87 89.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 18' ' ' ASP . 69.2 t -59.97 -56.99 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.493 HD13 HG23 ' A' ' 34' ' ' ILE . 62.9 mt -64.84 -41.25 95.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.9 47.16 2.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -125.35 174.46 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.605 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 2.9 m -125.7 174.45 8.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -45.43 -58.92 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.9 p -46.23 -22.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 26' ' ' SER . . . -72.68 116.79 13.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLN . 53.4 m -106.97 174.33 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.454 ' NE2' ' CD ' ' A' ' 75' ' ' ARG . 7.2 mm-40 -34.62 -42.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.48 -63.58 1.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -52.26 -45.52 65.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.493 HG23 HD13 ' A' ' 23' ' ' LEU . 53.4 mt -54.83 -57.29 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.435 ' CG ' ' HE2' ' A' ' 39' ' ' LYS . 5.5 ttpm? -44.21 -63.26 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -50.07 -33.24 17.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 34' ' ' ILE . . . -67.5 -49.48 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 42' ' ' ALA . 17.9 t80 -56.48 -60.02 4.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.435 ' HE2' ' CG ' ' A' ' 35' ' ' LYS . 3.3 mptp? -36.49 -50.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -56.92 -57.82 10.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 15.9 mt -56.79 -59.04 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.416 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . . . -52.78 -34.61 54.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -73.15 -43.31 61.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -68.97 -58.39 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.56 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 64.6 m95 -78.66 10.63 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -54.39 120.04 23.98 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 0.96 4.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -89.18 -35.0 16.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -99.22 -29.93 12.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.807 HD22 ' HB1' ' A' ' 55' ' ' ALA . 31.8 m-20 -68.13 133.86 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.97 -41.64 7.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -53.34 132.86 52.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.73 . . . . 0.0 110.848 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.6 3.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.38 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ASP . . . 132.66 -37.21 2.05 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.807 ' HB1' HD22 ' A' ' 50' ' ' ASN . . . -36.93 -40.39 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.724 0.297 . . . . 0.0 111.063 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -54.17 -47.85 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.45 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.1 t70 -43.01 -59.43 2.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.56 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 18.1 tpt180 -54.82 -48.73 72.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.688 ' HA ' HD12 ' A' ' 62' ' ' ILE . 3.7 t80 -49.05 -49.76 39.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 57' ' ' ASP . 60.7 mt -47.71 -44.12 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -60.82 -53.94 51.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 59' ' ' PHE . 17.9 mt -47.96 -49.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.7 t -61.17 -49.24 78.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -56.87 -40.15 75.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.48 -50.17 68.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 70' ' ' SER . 17.4 t80 -62.13 -48.07 81.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -38.42 -43.58 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.3 mt -57.41 -51.68 66.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' SER . 6.2 mt -75.56 -59.57 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 13.3 t -36.67 -44.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -74.58 120.87 20.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -56.34 -44.23 79.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.97 -61.59 1.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -50.11 -44.21 52.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.454 ' CD ' ' NE2' ' A' ' 31' ' ' GLN . 55.4 ttt-85 -58.07 -61.6 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 86.5 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.812 0.339 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.442 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 6.4 p90 -149.14 162.16 40.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.857 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.4 t70 -111.91 141.18 24.33 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.597 0.713 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.532 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 53.5 Cg_endo -69.76 -39.67 6.22 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.743 2.295 . . . . 0.0 112.339 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.457 ' CE1' HD21 ' A' ' 69' ' ' LEU . 13.0 m-85 -68.82 -47.67 65.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -60.82 -44.62 96.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.857 HG23 ' O ' ' A' ' 18' ' ' ASP . 95.5 t -63.56 -55.62 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.533 ' CD1' HG23 ' A' ' 34' ' ' ILE . 10.6 mt -58.36 -22.74 54.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.07 49.42 5.31 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.59 166.79 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 111.121 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -114.18 177.55 4.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -55.21 -30.92 60.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.3 p -64.75 -22.89 67.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.75 126.28 29.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' GLN . 7.1 m -106.29 163.89 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.943 ' HA ' HD12 ' A' ' 34' ' ' ILE . 24.7 mm-40 -35.87 -35.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.04 -57.83 7.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.499 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 5.4 m-20 -59.61 -37.82 79.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.943 HD12 ' HA ' ' A' ' 31' ' ' GLN . 21.2 mt -56.44 -48.91 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -55.6 -54.51 43.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.499 ' CD ' ' HA ' ' A' ' 33' ' ' ASP . 13.3 ptmt -59.06 -48.66 80.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.39 -23.23 63.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.633 ' CD2' ' CD2' ' A' ' 66' ' ' TYR . 2.7 t80 -73.88 -68.02 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -48.08 -45.63 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -50.43 -55.59 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 23' ' ' LEU . 9.6 mt -60.84 -41.63 96.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.79 81.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 14.2 mtp-105 -76.89 -37.63 55.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -70.72 -57.37 4.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -83.52 12.73 5.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.506 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 5.2 t-80 -54.69 139.89 59.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.631 0.729 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.507 ' HD3' ' CG ' ' A' ' 59' ' ' PHE . 53.8 Cg_endo -69.79 -42.34 3.46 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.412 ' HB2' ' ND1' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -56.47 -31.44 64.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -92.77 -30.09 15.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.632 ' ND2' ' HB1' ' A' ' 55' ' ' ALA . 64.8 m-20 -85.24 126.31 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -98.5 -32.6 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.15 139.64 64.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.631 0.729 . . . . 0.0 110.867 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 116.13 4.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 119.71 -38.97 2.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.632 ' HB1' ' ND2' ' A' ' 50' ' ' ASN . . . -36.97 -43.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.761 0.315 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -50.72 -45.11 58.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.71 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.7 m-20 -42.72 -54.69 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -54.19 -49.16 69.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.507 ' CG ' ' HD3' ' A' ' 47' ' ' PRO . 53.5 t80 -54.16 -42.01 69.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 57' ' ' ASP . 38.1 mt -58.39 -42.61 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -68.91 -52.17 32.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.476 HG21 ' HB3' ' A' ' 41' ' ' LEU . 32.9 mt -50.65 -46.89 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -63.22 -47.21 83.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -58.28 -37.85 75.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.532 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -60.0 -46.74 88.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.633 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 13.2 t80 -70.39 -42.81 71.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -41.7 -36.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.2 mt -73.27 -53.53 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.874 HD23 ' HD3' ' A' ' 75' ' ' ARG . 10.6 mt -66.48 -61.37 2.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 66' ' ' TYR . 59.9 p -41.48 -40.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -82.5 139.09 34.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -76.57 -50.47 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -52.77 -52.49 56.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -62.45 -62.45 1.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.874 ' HD3' HD23 ' A' ' 69' ' ' LEU . 26.8 tpt180 -47.07 -63.7 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 62.2 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.898 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.82 0.343 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 5.2 p90 -130.4 162.46 29.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 1.5 t70 -104.8 141.12 21.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.555 0.693 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.601 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 53.9 Cg_endo -69.71 -36.72 10.41 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -70.71 -39.82 73.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.957 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -66.41 -48.57 69.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 18' ' ' ASP . 69.1 t -59.58 -55.45 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.612 HD13 HG23 ' A' ' 34' ' ' ILE . 40.2 mt -60.21 -41.46 93.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.93 47.5 2.07 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.505 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.472 ' HB ' ' CB ' ' A' ' 29' ' ' ALA . 3.8 m -135.7 153.12 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -105.56 174.71 5.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -44.16 -53.45 6.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.3 m -43.4 -35.68 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.472 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . . . -66.97 122.78 18.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -102.02 177.19 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.598 ' HA ' HD12 ' A' ' 34' ' ' ILE . 9.2 tp-100 -43.03 -42.48 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.8 -62.24 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -54.14 -45.2 71.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.612 HG23 HD13 ' A' ' 23' ' ' LEU . 32.2 mt -54.31 -48.7 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.409 ' HG2' ' NZ ' ' A' ' 39' ' ' LYS . 3.0 ttmp? -51.52 -62.18 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -56.57 -43.79 80.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.86 82.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.453 ' HA ' HD22 ' A' ' 23' ' ' LEU . 2.4 t80 -57.22 -58.23 9.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.409 ' NZ ' ' HG2' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -49.14 -45.59 43.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -46.83 -59.16 3.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.467 ' HB3' HD13 ' A' ' 62' ' ' ILE . 13.3 mt -59.34 -55.63 32.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.12 -38.32 17.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -66.86 -44.46 80.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -68.64 -57.91 5.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.529 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 83.7 m95 -80.06 12.07 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.549 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.5 t-80 -52.66 117.39 10.76 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.6 0.714 . . . . 0.0 110.867 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.401 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.5 Cg_endo -69.84 -24.34 29.43 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.549 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 1.8 m-20 -67.66 -35.72 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -96.59 -29.93 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.514 ' ND2' ' HB1' ' A' ' 55' ' ' ALA . 29.0 m-20 -71.68 107.96 4.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -73.55 -42.48 61.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.31 132.69 52.45 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.621 0.724 . . . . 0.0 110.855 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 118.48 5.71 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.24 . . . . 0.0 112.331 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.57 -36.55 2.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.514 ' HB1' ' ND2' ' A' ' 50' ' ' ASN . . . -37.87 -41.74 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.713 0.292 . . . . 0.0 111.068 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' ASP . 51.5 tt0 -52.71 -53.53 46.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.454 ' HA ' HD12 ' A' ' 60' ' ' ILE . 6.3 t70 -34.67 -57.93 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.529 ' HG2' ' CD2' ' A' ' 45' ' ' TRP . 5.8 tpt85 -57.64 -48.91 78.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.691 ' HA ' HD12 ' A' ' 62' ' ' ILE . 17.5 t80 -50.64 -50.94 53.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 57' ' ' ASP . 63.6 mt -45.97 -45.97 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.66 -49.07 78.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 59' ' ' PHE . 19.7 mt -54.37 -55.3 15.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -55.96 -49.98 72.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -59.16 -40.62 86.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.601 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -56.6 -55.81 29.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.546 ' CD1' HG22 ' A' ' 34' ' ' ILE . 15.0 t80 -63.57 -42.69 98.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -40.04 -43.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.9 mt -61.26 -55.05 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' SER . 23.3 mt -67.01 -61.52 1.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 9.8 t -35.81 -48.84 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -69.14 145.86 52.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 4.6 pt-20 -80.69 -38.23 29.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 24.1 mt-10 -66.72 -64.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -47.46 -54.69 10.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -51.85 -57.79 8.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 82.5 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.9 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.493 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 4.0 p90 -140.64 154.78 46.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.878 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.5 t70 -97.56 140.31 21.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.587 0.708 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 53.5 Cg_endo -69.8 -42.93 2.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.623 2.215 . . . . 0.0 112.356 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.501 ' HE1' HD21 ' A' ' 69' ' ' LEU . 5.1 m-85 -64.58 -43.32 94.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -64.15 -45.95 86.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 18' ' ' ASP . 94.6 t -57.25 -62.09 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.601 ' O ' HD11 ' A' ' 41' ' ' LEU . 82.9 mt -62.68 -43.28 99.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.97 45.87 2.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.414 ' HB ' ' CB ' ' A' ' 29' ' ' ALA . 0.8 OUTLIER -120.44 170.81 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 111.141 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.611 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 2.7 m -121.79 177.86 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -48.49 -58.93 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 t -46.89 -24.05 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 26' ' ' SER . . . -70.7 119.51 14.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 31' ' ' GLN . 2.7 m -112.19 173.99 6.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.654 ' HA ' HD12 ' A' ' 34' ' ' ILE . 6.6 tp-100 -34.32 -41.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.95 -64.56 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.168 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -56.93 -41.67 78.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 31' ' ' GLN . 38.4 mt -53.97 -66.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -44.29 -53.05 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -58.17 -37.6 75.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.27 -43.77 81.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -57.09 -60.5 3.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -40.29 -52.14 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -50.87 -57.04 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.601 HD11 ' O ' ' A' ' 23' ' ' LEU . 4.6 mt -56.67 -59.8 4.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.17 -39.73 30.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -64.68 -44.04 91.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -70.0 -57.83 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.45 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 74.5 m95 -79.22 11.54 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.3 t-80 -51.92 116.07 7.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.722 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.411 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.9 Cg_endo -69.78 -15.59 37.09 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.559 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -70.34 -38.54 74.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -97.2 -30.14 13.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.483 HD22 ' HB1' ' A' ' 55' ' ' ALA . 30.6 m-20 -69.77 140.4 53.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -112.95 -34.89 5.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.66 136.19 71.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.606 0.717 . . . . 0.0 110.88 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 104.57 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.639 2.226 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.35 -42.61 0.93 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.483 ' HB1' HD22 ' A' ' 50' ' ' ASN . . . -38.15 -43.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' ASP . 15.4 tt0 -55.27 -57.82 10.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.484 ' HA ' HD12 ' A' ' 60' ' ' ILE . 9.0 m-20 -34.79 -51.04 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HG2' ' CD2' ' A' ' 45' ' ' TRP . 11.6 tpt180 -66.12 -51.11 61.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.689 ' HA ' HD12 ' A' ' 62' ' ' ILE . 53.0 t80 -46.12 -45.1 16.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 57' ' ' ASP . 20.7 mt -56.39 -45.53 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -62.35 -46.95 86.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 59' ' ' PHE . 54.5 mt -50.58 -53.78 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.8 t -58.53 -46.58 86.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -57.52 -42.43 82.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.453 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -62.2 -56.72 15.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 9.5 t80 -58.01 -47.0 84.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.923 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -38.33 -46.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 78.2 mt -57.01 -53.32 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.501 HD21 ' HE1' ' A' ' 20' ' ' TYR . 8.9 mt -71.73 -62.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.554 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 4.4 t -34.38 -47.71 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -79.28 135.36 36.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -63.21 -59.28 4.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -47.22 -67.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -41.92 -60.58 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.3 ttp85 -43.17 -56.99 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 94.3 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.904 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 5.1 p90 -136.56 152.43 50.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.473 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.4 t70 -88.76 141.1 29.69 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 54.1 Cg_endo -69.7 -34.32 15.02 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.691 2.26 . . . . 0.0 112.411 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.425 ' CE2' HD21 ' A' ' 69' ' ' LEU . 33.8 m-85 -74.19 -27.92 61.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -78.64 -42.4 28.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 18' ' ' ASP . 69.1 t -63.8 -60.64 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.484 HD13 HG23 ' A' ' 34' ' ' ILE . 41.6 mt -58.71 -32.01 68.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.932 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.98 43.01 4.54 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -135.11 174.13 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 111.074 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.528 ' HB3' HG22 ' A' ' 28' ' ' THR . 1.1 t -120.36 176.33 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -55.9 -30.47 61.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 26' ' ' SER . 9.0 t -68.14 -18.63 64.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.78 120.31 20.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.061 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.8 m -97.22 172.07 8.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -40.2 -34.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.19 -67.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -55.35 -43.67 75.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.484 HG23 HD13 ' A' ' 23' ' ' LEU . 41.2 mt -59.63 -66.31 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -39.3 -45.46 1.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -64.6 -36.77 85.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' ILE . . . -71.11 -37.71 72.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.406 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 2.8 t80 -64.61 -64.15 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 17.7 mttt -48.17 -55.08 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -49.3 -48.4 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.42 -58.88 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.55 -42.68 34.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -66.26 -43.17 87.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -66.32 -59.86 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -77.74 8.95 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -53.84 123.72 40.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.427 ' HD3' ' CG ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.74 -32.53 18.45 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -54.43 -31.83 56.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -103.16 -30.05 10.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -67.78 139.86 56.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -102.55 -32.1 10.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -60.19 125.44 81.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.708 . . . . 0.0 110.846 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 104.32 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.727 2.285 . . . . 0.0 112.36 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.66 -34.82 2.0 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.537 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -37.72 -41.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ASP . 32.7 tt0 -42.38 -55.87 3.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' GLU . 37.0 t0 -35.24 -58.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -58.62 -54.93 41.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.904 ' HA ' HD12 ' A' ' 62' ' ' ILE . 12.3 t80 -44.56 -40.92 6.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 75.3 mt -60.48 -47.95 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.439 ' NE2' ' CE2' ' A' ' 17' ' ' PHE . 11.0 mm100 -56.66 -45.72 81.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' A' ' 59' ' ' PHE . 35.1 mt -49.16 -42.3 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -70.38 -42.26 71.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -60.76 -47.94 84.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.68 -49.93 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -66.45 -48.61 69.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -39.25 -42.3 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 29.4 mt -63.51 -58.28 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 70' ' ' SER . 11.4 mt -66.67 -61.47 1.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' LEU . 8.0 t -34.5 -52.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -77.62 127.94 33.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.16 -56.1 26.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -41.78 -60.32 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -58.3 9.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.1 ttt-85 -40.95 -59.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 91.4 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 -179.909 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.1 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.542 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 1.2 p90 -148.16 137.94 22.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.534 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.6 t70 -97.15 141.15 22.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.717 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.624 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 54.0 Cg_endo -69.74 -37.56 9.05 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.255 . . . . 0.0 112.365 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -69.46 -42.08 75.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.06 -43.83 90.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 18' ' ' ASP . 71.5 t -63.29 -48.03 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.502 HD13 HG23 ' A' ' 34' ' ' ILE . 42.4 mt -71.0 -27.61 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.2 46.14 5.67 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.439 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.08 160.98 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -109.49 171.67 7.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -52.92 -30.82 36.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 t -64.13 -23.99 67.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.31 131.94 43.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 32' ' ' ALA . 59.6 p -106.3 170.7 7.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.515 ' HA ' HD12 ' A' ' 34' ' ' ILE . 3.7 mm-40 -40.51 -28.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -70.76 -61.43 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -55.74 -39.8 71.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 31' ' ' GLN . 28.9 mt -60.14 -58.72 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -50.31 -41.76 51.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -71.04 -34.55 71.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.44 77.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 39' ' ' LYS . 12.0 t80 -58.39 -64.29 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 38' ' ' TYR . 1.5 mptm? -34.35 -54.78 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.41 -57.32 10.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.436 HD23 ' CD1' ' A' ' 45' ' ' TRP . 4.9 mt -53.9 -46.1 71.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.22 86.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -70.13 -44.33 69.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -69.05 -57.65 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.591 ' CH2' ' NH1' ' A' ' 58' ' ' ARG . 80.7 m95 -79.79 10.75 3.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.433 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -51.98 107.29 0.8 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.57 0.7 . . . . 0.0 110.886 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.591 ' HD3' ' CD1' ' A' ' 59' ' ' PHE . 53.9 Cg_endo -69.72 -28.95 24.82 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -57.63 -28.83 64.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.96 -29.51 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -59.83 151.8 24.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -117.03 -31.19 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.13 134.6 95.87 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 110.852 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 110.84 2.67 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 138.04 -39.53 1.58 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 54' ' ' GLY . . . -36.92 -46.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 111.097 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -50.87 -47.79 60.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' HA ' HD12 ' A' ' 60' ' ' ILE . 36.3 t70 -42.77 -51.45 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.591 ' NH1' ' CH2' ' A' ' 45' ' ' TRP . 13.7 tpp85 -64.89 -48.29 74.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.591 ' CD1' ' HD3' ' A' ' 47' ' ' PRO . 37.8 t80 -46.39 -46.6 18.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 57' ' ' ASP . 30.5 mt -54.21 -50.85 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 64' ' ' LYS . 76.4 mt-30 -60.82 -59.27 5.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.9 mt -41.04 -43.39 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 t -74.68 -34.55 62.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLN . 56.8 mmtt -75.15 -17.02 60.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.624 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -88.69 -39.68 13.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.057 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -77.16 -42.43 37.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -45.77 -29.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 75' ' ' ARG . 82.8 mt -74.06 -48.38 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' SER . 11.2 mt -76.99 -58.02 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' LEU . 11.0 t -35.04 -50.88 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -78.45 123.36 26.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.421 ' CD ' ' HG3' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -58.39 -41.34 84.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.421 ' HG3' ' CD ' ' A' ' 72' ' ' GLU . 25.6 mt-10 -67.31 -56.55 9.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -53.72 -47.22 70.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' ILE . 33.2 ttp180 -52.45 -53.96 38.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.877 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.887 0.375 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.459 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 6.0 p90 -138.63 144.2 39.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.838 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.6 t70 -89.65 138.35 28.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.851 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.463 ' HB2' HD21 ' A' ' 69' ' ' LEU . 53.9 Cg_endo -69.75 -37.36 9.29 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.651 2.234 . . . . 0.0 112.357 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -69.97 -38.05 75.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.7 mmm-85 -69.58 -47.28 64.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 18' ' ' ASP . 84.9 t -53.33 -57.21 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.502 ' CD1' HD12 ' A' ' 69' ' ' LEU . 70.9 mt -62.07 -27.96 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.19 45.31 5.94 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.468 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.36 176.83 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.01 178.28 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -63.66 -30.21 71.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.9 p -72.53 -14.5 61.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.16 126.36 25.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' ALA . 1.5 t -107.39 157.81 17.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' SER . 4.7 mm-40 -34.15 -34.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -70.35 -57.66 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -42.72 82.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.421 HG23 HD13 ' A' ' 23' ' ' LEU . 48.3 mt -56.44 -57.82 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -50.03 -42.32 49.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -68.38 -39.57 81.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.63 -36.09 80.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.434 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 1.7 t80 -65.57 -60.49 2.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 22.6 mttt -44.85 -40.63 6.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -57.86 -64.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mt -52.31 -38.85 59.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.62 83.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -70.09 -44.99 67.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -70.63 -54.98 9.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.585 ' CH2' ' CZ ' ' A' ' 58' ' ' ARG . 84.8 m95 -80.91 12.84 2.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.9 t-80 -55.97 120.42 33.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.575 ' HD3' ' CD2' ' A' ' 59' ' ' PHE . 53.8 Cg_endo -69.74 -20.05 35.43 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.369 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.453 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 0.9 OUTLIER -70.57 -37.51 73.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -95.22 -30.06 14.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -71.37 125.76 27.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -99.26 -37.61 9.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.01 139.2 71.58 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 117.65 5.21 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.11 -40.98 1.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -37.18 -40.91 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.704 0.288 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 57' ' ' ASP . 32.4 tt0 -56.19 -54.84 40.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' GLU . 12.2 t70 -37.51 -57.9 0.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.585 ' CZ ' ' CH2' ' A' ' 45' ' ' TRP . 7.8 tpp85 -58.58 -47.84 82.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.811 ' HA ' HD12 ' A' ' 62' ' ' ILE . 10.7 t80 -48.67 -44.31 37.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.0 mt -54.44 -49.43 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -59.04 -47.87 83.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.811 HD12 ' HA ' ' A' ' 59' ' ' PHE . 20.9 mt -51.97 -51.23 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -63.1 -49.4 74.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -55.52 -41.77 73.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.417 ' HB2' HG11 ' A' ' 22' ' ' VAL . . . -59.33 -57.04 14.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.51 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 11.3 t80 -59.83 -45.69 91.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -39.48 -45.75 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 75' ' ' ARG . 52.2 mt -62.11 -47.37 93.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.502 HD12 ' CD1' ' A' ' 23' ' ' LEU . 11.4 mt -75.15 -65.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.51 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 3.1 t -37.97 -42.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -77.28 120.93 23.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.1 -40.63 81.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -63.8 -61.82 2.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -54.81 -47.68 73.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' ILE . 13.4 ttp180 -54.8 -57.48 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 56.2 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 -179.928 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.857 0.36 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.518 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 3.0 p90 -149.07 146.31 27.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.8 t70 -86.92 141.22 33.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 0.0 110.848 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.572 ' HB2' HD11 ' A' ' 69' ' ' LEU . 53.4 Cg_endo -69.79 -29.49 23.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -77.94 -39.06 43.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mmt85 -67.21 -46.19 74.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.831 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 18' ' ' ASP . 76.3 t -61.03 -58.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.557 ' O ' HD11 ' A' ' 41' ' ' LEU . 46.1 mt -62.83 -38.05 89.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.03 43.98 3.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.19 156.52 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.34 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 p -99.17 175.22 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -62.42 -29.17 70.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.6 p -82.78 -13.07 56.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.03 119.49 14.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' ASP . 2.7 m -101.49 170.78 7.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' SER . 0.9 OUTLIER -34.86 -57.45 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.56 -43.1 11.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' SER . 6.4 m-20 -71.84 -42.97 66.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 37' ' ' ALA . 58.0 mt -60.0 -61.1 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -39.91 -36.99 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -77.0 -37.11 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 34' ' ' ILE . . . -68.6 -32.92 73.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.401 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 2.6 t80 -73.88 -63.06 1.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 15.9 mttm -47.23 -43.09 21.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -58.13 -61.43 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.557 HD11 ' O ' ' A' ' 23' ' ' LEU . 9.5 mt -55.16 -40.49 70.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.95 78.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -74.19 -44.25 54.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.09 -54.83 7.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.461 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 72.1 m95 -76.79 7.57 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.586 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.7 t-160 -54.66 131.27 64.72 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.589 0.709 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.586 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 54.2 Cg_endo -69.7 -20.88 34.54 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.735 2.29 . . . . 0.0 112.364 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.419 ' HB3' ' ND1' ' A' ' 46' ' ' HIS . 1.0 OUTLIER -59.72 -46.27 89.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -90.67 -30.05 17.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.477 ' ND2' ' HB1' ' A' ' 55' ' ' ALA . 34.0 m-20 -74.27 118.06 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -97.04 -36.47 10.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.96 140.54 61.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.599 0.714 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 116.04 4.38 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.651 2.234 . . . . 0.0 112.311 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' GLU . . . 131.86 -44.44 1.2 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.477 ' HB1' ' ND2' ' A' ' 50' ' ' ASN . . . -37.52 -31.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.737 0.303 . . . . 0.0 111.103 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' GLY . 42.8 tt0 -65.09 -55.42 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -35.91 -59.3 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 11.2 tpt180 -54.03 -53.86 47.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.554 ' HA ' HD12 ' A' ' 62' ' ' ILE . 38.9 t80 -46.43 -49.75 17.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.409 HG22 ' HD2' ' A' ' 64' ' ' LYS . 74.7 mt -49.62 -45.58 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -66.44 -57.93 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 59' ' ' PHE . 19.0 mt -41.3 -42.2 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -70.47 -41.74 72.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HD2' HG22 ' A' ' 60' ' ' ILE . 32.2 mtpt -62.57 -45.03 94.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.44 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -54.95 -46.95 75.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' A' ' 70' ' ' SER . 11.1 t80 -66.37 -49.14 67.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -38.82 -40.36 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.407 ' N ' ' HZ3' ' A' ' 74' ' ' LYS . 57.1 mt -68.31 -55.02 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.186 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' A' ' 19' ' ' PRO . 23.9 mt -69.64 -61.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.528 ' HB3' ' CE1' ' A' ' 66' ' ' TYR . 86.5 p -35.86 -38.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -80.68 144.6 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -79.86 -43.57 22.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.62 -53.27 57.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.407 ' HZ3' ' N ' ' A' ' 68' ' ' ILE . 38.6 mtpt -59.22 -61.72 2.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -43.43 -54.46 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.0 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.891 0.377 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.514 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 2.6 p90 -137.57 143.22 41.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.757 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -98.7 144.09 27.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -46.87 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -59.8 -44.36 94.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -65.89 -45.39 82.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 18' ' ' ASP . 47.6 t -55.71 -51.62 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.429 ' O ' HD11 ' A' ' 41' ' ' LEU . 80.7 mt -71.67 -29.64 64.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.39 41.0 5.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -123.69 162.36 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 111.101 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -111.56 175.15 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.806 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.4 ptt-85 -50.74 -45.04 58.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 t -52.87 -29.06 25.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.45 130.25 42.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 32' ' ' ALA . 29.7 m -115.55 172.23 7.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 30' ' ' SER . 17.6 mm100 -36.5 -32.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -68.34 -65.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -56.28 -40.39 74.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.8 mt -59.35 -60.06 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -52.07 -46.49 65.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -67.2 -29.74 69.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.71 -41.91 61.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' LYS . 10.1 t80 -59.47 -60.94 3.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' TYR . 1.5 mptm? -36.63 -58.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -46.76 -55.24 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.429 HD11 ' O ' ' A' ' 23' ' ' LEU . 9.1 mt -57.53 -46.29 84.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.33 78.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -72.11 -42.78 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -69.83 -57.43 5.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -83.03 16.38 2.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 48' ' ' ASP . 7.2 t60 -54.59 126.22 55.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.561 0.696 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.582 ' HD3' ' CD1' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.74 -28.06 25.83 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.584 ' HB3' ' CD2' ' A' ' 46' ' ' HIS . 34.4 t70 -65.74 -34.49 78.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -93.66 -30.05 15.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.475 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 35.9 m-20 -80.11 110.49 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.44 ' HE2' ' C ' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -88.48 -24.24 23.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.87 141.14 98.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.575 0.703 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 118.03 5.44 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.378 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.07 -45.5 1.14 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.26 -41.34 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.757 0.313 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -55.55 -55.02 36.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.518 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.9 t70 -40.88 -61.32 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -53.7 -47.75 70.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.582 ' CD1' ' HD3' ' A' ' 47' ' ' PRO . 31.9 t80 -50.82 -43.07 58.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 57' ' ' ASP . 53.1 mt -56.88 -40.21 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -64.5 -44.63 90.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 59' ' ' PHE . 22.3 mt -58.78 -47.22 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 t -66.69 -45.57 78.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -63.79 -33.77 76.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.421 ' HB2' HG11 ' A' ' 22' ' ' VAL . . . -68.61 -55.44 11.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 9.8 t80 -61.87 -43.26 99.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -39.76 -47.26 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.7 mt -57.43 -57.47 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 70' ' ' SER . 9.9 mt -65.67 -63.25 1.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.558 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 9.4 t -34.8 -42.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.481 ' CB ' ' HD3' ' A' ' 74' ' ' LYS . 4.6 m120 -79.49 131.65 36.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -59.49 -59.23 5.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -50.52 -65.66 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.481 ' HD3' ' CB ' ' A' ' 71' ' ' ASN . 6.9 mptt -47.37 -54.65 10.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.9 ttp85 -42.44 -54.19 3.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 83.1 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 t70 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.83 0.347 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 3.8 p90 -141.64 144.2 34.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.715 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.7 m-20 -92.76 142.08 25.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.628 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 54.0 Cg_endo -69.72 -42.71 3.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.638 2.226 . . . . 0.0 112.374 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -62.86 -40.06 96.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 12.0 mtp-105 -69.85 -46.34 65.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 18' ' ' ASP . 93.7 t -61.11 -57.09 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.687 HD12 ' CD1' ' A' ' 69' ' ' LEU . 83.3 mt -62.43 -38.81 91.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.96 44.17 3.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.401 ' HB ' ' CB ' ' A' ' 29' ' ' ALA . 3.6 m -127.66 159.86 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 111.098 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 m -115.36 174.83 5.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -44.33 -52.59 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.1 p -45.68 -34.53 3.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.401 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . . . -65.98 124.25 22.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 p -106.54 174.2 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.796 ' HA ' HD12 ' A' ' 34' ' ' ILE . 7.2 tp60 -38.43 -42.99 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.2 -61.53 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.14 -46.82 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.796 HD12 ' HA ' ' A' ' 31' ' ' GLN . 28.0 mt -49.42 -54.62 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.203 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.419 ' CG ' ' HE3' ' A' ' 39' ' ' LYS . 11.9 ttpp -56.31 -45.04 80.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.3 mmmt -62.16 -36.66 82.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.64 -44.21 67.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 39' ' ' LYS . 18.6 t80 -57.1 -65.0 0.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 38' ' ' TYR . 2.3 mptm? -34.45 -62.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -43.16 -52.98 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 mt -57.95 -39.07 77.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.02 84.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.1 -47.25 62.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.78 -50.58 62.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.561 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 90.2 m95 -88.44 11.95 15.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -51.99 110.56 1.93 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 -31.62 20.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.238 . . . . 0.0 112.378 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.38 -30.56 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -106.16 -27.88 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -62.43 139.71 58.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -104.7 -27.32 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.35 133.63 95.72 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 104.41 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 143.27 -32.21 1.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' GLY . . . -37.12 -40.79 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.751 0.31 . . . . 0.0 111.077 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' ASP . 10.4 tt0 -53.33 -64.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' GLU . 21.5 t0 -36.85 -62.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.561 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 4.9 tpt180 -43.63 -52.77 6.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.761 ' HA ' HD12 ' A' ' 62' ' ' ILE . 11.1 t80 -57.26 -43.32 82.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 mm -47.41 -39.12 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.195 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -74.37 -47.16 35.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.761 HD12 ' HA ' ' A' ' 59' ' ' PHE . 24.1 mt -53.01 -46.71 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t -66.81 -45.33 78.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -59.04 -43.95 91.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.628 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -61.57 -52.51 64.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.462 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 12.9 t80 -61.07 -42.09 97.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -40.01 -47.29 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.8 -55.83 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.687 ' CD1' HD12 ' A' ' 23' ' ' LEU . 3.6 mt -63.75 -65.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.462 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 7.7 t -37.4 -39.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -75.13 125.28 28.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -61.34 -45.38 94.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.65 -61.1 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -51.26 -49.29 61.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.0 ttp85 -53.61 -61.94 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 36.4 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 t70 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 4.2 p90 -120.68 155.06 34.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.583 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.2 m-20 -87.86 142.29 32.24 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.609 0.719 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -43.13 2.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.32 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -62.15 -38.42 88.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -69.0 -44.47 72.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 18' ' ' ASP . 91.5 t -66.9 -47.47 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.78 HD12 HD12 ' A' ' 69' ' ' LEU . 9.7 mt -74.48 -34.13 63.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.35 58.21 2.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.523 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.17 157.68 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.125 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 p -95.72 178.06 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 mtm-85 -66.78 -28.97 68.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.4 p -84.98 -10.14 57.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.07 112.56 9.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' ASP . 51.9 p -97.51 171.97 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.703 ' HA ' HD12 ' A' ' 34' ' ' ILE . 45.6 mm-40 -34.38 -57.34 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.18 -41.95 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' SER . 1.2 m-20 -75.21 -37.88 60.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 31' ' ' GLN . 30.4 mt -62.47 -60.24 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -37.4 -52.93 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -59.7 -38.08 80.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' ILE . . . -67.14 -42.69 83.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -65.21 -55.74 16.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -54.15 -52.31 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.9 tttp -49.9 -42.77 48.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mt -71.37 -46.08 61.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.945 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.31 -34.86 71.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -71.59 -40.69 69.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -70.17 -58.76 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.56 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 83.5 m95 -80.19 11.69 3.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.409 ' ND1' ' HD2' ' A' ' 47' ' ' PRO . 0.5 OUTLIER -53.09 115.26 7.16 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.574 0.702 . . . . 0.0 110.853 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.409 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.9 Cg_endo -69.74 -17.13 37.81 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.2 -39.47 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -96.82 -29.83 13.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -73.9 134.18 43.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -104.99 -32.58 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.78 142.22 44.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 0.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 117.85 5.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 127.13 -36.08 2.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' GLY . . . -37.07 -39.27 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 0.0 111.089 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ASP . 22.3 tt0 -61.1 -64.36 0.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' GLU . 3.2 t0 -37.55 -60.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.56 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 9.1 tpt85 -51.26 -46.37 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.48 ' HA ' HD12 ' A' ' 62' ' ' ILE . 28.3 t80 -60.62 -33.55 72.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.569 HG22 ' NZ ' ' A' ' 64' ' ' LYS . 5.2 mm -57.42 -41.49 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' LYS . 27.4 mt-30 -70.78 -60.22 2.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 59' ' ' PHE . 23.2 mt -38.47 -40.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -73.83 -39.57 63.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.569 ' NZ ' HG22 ' A' ' 60' ' ' ILE . 25.4 mtmm -70.91 -15.81 62.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.92 -27.73 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' A' ' 70' ' ' SER . 10.0 t80 -85.34 -46.49 10.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.412 ' CD ' ' HA ' ' A' ' 64' ' ' LYS . 13.3 pt-20 -40.49 -33.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 40.8 mt -72.82 -50.64 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.78 HD12 HD12 ' A' ' 23' ' ' LEU . 15.8 mt -76.38 -59.04 2.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.946 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.535 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 32.3 t -34.56 -51.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -70.68 132.77 45.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -65.57 -39.39 91.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.54 -68.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -46.29 -44.93 16.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -56.96 -58.01 10.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 60.3 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 -179.907 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -42.23 -55.21 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.1 p -166.47 162.21 16.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.71 104.29 0.18 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.441 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -166.92 155.57 10.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -147.37 152.2 37.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.01 47.71 0.47 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.534 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.531 HG23 ' O ' ' A' ' 8' ' ' ILE . 1.6 tp -63.67 110.99 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 111.125 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.3 mt -153.21 119.1 5.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -77.82 166.47 22.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -152.99 164.99 36.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.84 119.82 5.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.8 m -89.54 152.34 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.96 -37.29 16.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' ASP . 1.2 pt? -124.44 171.89 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' LEU . 65.9 m-20 -35.0 -51.7 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.534 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 2.5 p90 -151.22 143.03 23.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.822 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -87.62 142.98 33.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.845 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.535 ' CE2' HD21 ' A' ' 69' ' ' LEU . 58.9 m-85 -55.84 -42.79 76.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.1 mmt-85 -64.93 -39.9 94.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 18' ' ' ASP . 74.5 t -64.0 -57.86 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.52 HD13 HG23 ' A' ' 34' ' ' ILE . 42.5 mt -61.85 -33.61 74.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.34 42.08 3.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -133.52 169.11 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.318 . . . . 0.0 111.182 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -115.87 176.19 5.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -53.0 -37.4 61.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.4 m -58.11 -24.72 59.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.69 128.31 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' ALA . 3.5 m -106.79 169.06 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' SER . 12.0 mm-40 -35.61 -33.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -68.61 -61.11 1.96 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -56.68 -46.06 81.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.52 HG23 HD13 ' A' ' 23' ' ' LEU . 35.1 mt -61.56 -49.8 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 2.0 tmmm? -54.0 -61.06 2.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 35' ' ' LYS . 49.4 tttt -52.47 -42.5 64.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.72 81.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.404 ' CG ' ' CD2' ' A' ' 66' ' ' TYR . 2.9 t80 -66.92 -63.42 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -53.32 -42.94 67.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -58.78 -42.87 90.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.636 HD23 ' CD1' ' A' ' 45' ' ' TRP . 7.2 mt -72.87 -38.7 66.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.75 -37.33 82.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.5 mtp85 -74.74 -44.51 49.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -69.94 -53.21 18.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.636 ' CD1' HD23 ' A' ' 41' ' ' LEU . 79.2 m95 -84.05 14.46 4.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.586 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.8 t-80 -58.68 137.01 86.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.586 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 53.7 Cg_endo -69.7 -16.87 38.0 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.25 -43.47 92.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.62 -30.03 13.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.435 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 38.9 m-20 -72.39 124.46 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -111.07 -30.75 7.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.13 144.21 50.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 116.94 4.79 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.0 -36.86 2.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -40.75 -56.54 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.777 0.322 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 57' ' ' ASP . 5.0 mp0 -42.21 -60.34 1.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 56' ' ' GLU . 8.2 t70 -36.16 -59.15 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -50.17 -54.53 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -51.8 -56.99 10.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 57' ' ' ASP . 41.1 mt -44.72 -41.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -73.08 -55.57 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.447 HD13 ' HB3' ' A' ' 41' ' ' LEU . 62.4 mt -42.25 -45.14 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 t -64.87 -41.24 95.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -63.73 -46.71 84.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.1 -48.66 61.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.547 ' CD1' ' HB2' ' A' ' 70' ' ' SER . 11.0 t80 -69.76 -44.02 71.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -39.38 -41.46 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.6 mt -67.63 -64.26 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.535 HD21 ' CE2' ' A' ' 20' ' ' TYR . 14.0 mt -60.17 -60.94 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.547 ' HB2' ' CD1' ' A' ' 66' ' ' TYR . 8.6 t -34.57 -50.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -71.76 132.63 44.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -65.45 -51.1 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -57.98 -50.32 73.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -60.83 -48.74 80.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.8 ttp85 -55.08 -58.5 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' ASN . 87.8 m -48.54 -56.5 8.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 76' ' ' THR . 68.3 m-20 -38.0 -58.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -47.13 -55.13 8.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -50.5 -51.99 42.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -48.6 -45.37 38.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -70.7 -21.49 62.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.38 38.15 68.3 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.1 t 57.24 42.65 24.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.884 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -122.72 -170.56 13.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.446 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 131.27 20.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.1 t -66.73 143.16 57.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.3 m -48.42 -51.34 27.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.9 p -140.88 146.46 37.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.85 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -142.49 151.52 41.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.97 46.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -142.97 139.12 30.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 m -114.5 139.53 49.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.29 116.33 4.12 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.599 HG22 ' O ' ' A' ' 8' ' ' ILE . 50.0 mm -90.52 -1.65 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.868 0.366 . . . . 0.0 111.089 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.803 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -117.7 172.42 7.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -146.91 105.64 3.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.5 m -91.43 111.94 23.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 13' ' ' SER . 2.5 pp -163.32 164.79 24.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.425 ' N ' HD12 ' A' ' 12' ' ' LEU . 3.2 p -129.79 168.29 16.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -160.15 174.11 14.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.423 HD11 ' O ' ' A' ' 17' ' ' PHE . 1.3 pt? -83.87 177.91 8.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -45.72 -62.18 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.515 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 3.4 p90 -143.33 148.18 35.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.547 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.5 t70 -101.36 141.23 22.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.524 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 54.3 Cg_endo -69.7 -35.17 13.32 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -73.3 -41.73 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.8 mtt-85 -68.55 -40.56 80.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 18' ' ' ASP . 42.7 t -64.77 -58.19 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.6 ' O ' HD11 ' A' ' 41' ' ' LEU . 44.4 mt -62.33 -34.0 75.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.47 48.69 3.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -130.79 159.61 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 111.121 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -109.21 174.1 6.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -50.53 -37.42 39.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 t -57.85 -26.26 61.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.12 134.41 46.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 32' ' ' ALA . 9.3 m -119.06 174.21 6.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -38.15 -30.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -72.31 -61.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -57.69 -37.35 73.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.522 HG22 ' CE1' ' A' ' 66' ' ' TYR . 47.9 mt -63.71 -54.78 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -57.9 -34.49 69.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -75.75 -41.45 53.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.59 86.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.561 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 1.6 t80 -58.78 -67.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.944 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 53.2 mttt -38.19 -59.33 0.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 40' ' ' LYS . 8.2 mptt -45.28 -60.29 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.6 HD11 ' O ' ' A' ' 23' ' ' LEU . 6.0 mt -47.07 -53.24 13.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.47 -35.75 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -67.45 -41.19 85.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.96 -55.93 5.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -77.44 8.41 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.579 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.8 t-80 -53.73 132.52 56.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.539 0.685 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.579 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 53.5 Cg_endo -69.77 -32.71 18.0 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.679 2.253 . . . . 0.0 112.369 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -53.94 -42.13 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -89.19 -29.89 18.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.606 ' ND2' ' HB1' ' A' ' 55' ' ' ALA . 32.4 m-20 -81.09 132.02 35.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -111.4 -36.94 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -53.75 144.31 35.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 116.14 4.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 129.48 -43.8 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.606 ' HB1' ' ND2' ' A' ' 50' ' ' ASN . . . -37.07 -46.59 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -55.61 -48.69 74.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -44.25 -61.3 1.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -51.27 -55.36 18.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.777 ' HA ' HD12 ' A' ' 62' ' ' ILE . 36.4 t80 -42.8 -43.8 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.6 mt -58.6 -46.72 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -58.1 -45.34 87.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 59' ' ' PHE . 41.0 mt -52.03 -54.44 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.177 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 t -59.31 -51.32 70.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -54.85 -39.25 68.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.524 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -63.63 -44.91 92.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 70' ' ' SER . 13.9 t80 -66.18 -42.84 88.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -39.28 -51.26 2.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.9 mt -49.45 -54.06 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.431 HD13 HG21 ' A' ' 34' ' ' ILE . 4.8 mt -72.05 -62.77 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 66' ' ' TYR . 46.0 p -41.84 -25.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.816 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' LEU . 19.2 t-20 -90.07 131.59 35.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -62.98 -55.55 24.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -51.13 -67.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -45.89 -60.0 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -52.75 -36.46 57.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 59.3 m -67.46 -46.91 71.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -58.36 -48.9 79.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.71 -54.11 42.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -61.27 -53.93 50.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.11 -39.06 63.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -68.5 -14.57 63.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.31 38.49 81.37 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.3 m 57.32 37.75 28.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.88 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.31 146.67 47.93 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.59 3.39 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t 67.54 43.07 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.1 p -96.29 -24.08 16.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 3' ' ' SER . 22.4 t 56.0 42.72 28.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.892 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 2' ' ' SER . 32.3 t -37.43 -45.14 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.2 -155.55 0.6 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 p -167.72 157.89 10.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.882 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -154.25 155.32 35.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.58 38.26 1.81 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.408 HD12 ' C ' ' A' ' 8' ' ' ILE . 2.6 pp -84.06 175.54 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 111.137 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.692 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -138.82 151.76 47.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' SER . 3.5 pm0 -114.45 -30.74 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' GLN . 58.2 m -35.35 -46.31 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.408 ' H ' HD23 ' A' ' 9' ' ' LEU . 19.1 tp -113.56 135.53 53.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.3 m -139.9 113.98 8.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.25 -30.71 62.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.641 HD11 ' O ' ' A' ' 17' ' ' PHE . 1.1 pt? -158.36 169.72 23.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -41.49 -61.54 1.04 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.641 ' O ' HD11 ' A' ' 15' ' ' LEU . 7.5 p90 -137.09 158.32 44.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.644 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -93.81 141.66 24.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.639 0.733 . . . . 0.0 110.833 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.83 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.475 ' CE1' HD21 ' A' ' 69' ' ' LEU . 68.2 m-85 -56.96 -36.41 70.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -71.42 -40.41 70.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.666 HG11 ' HB2' ' A' ' 65' ' ' ALA . 51.1 t -63.1 -57.26 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 66' ' ' TYR . 35.3 mt -58.95 -33.9 71.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.58 35.55 4.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -122.87 163.43 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 111.136 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 1.8 m -115.2 168.52 9.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -40.87 -55.02 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.6 t -43.83 -35.85 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 26' ' ' SER . . . -62.58 128.87 38.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 31' ' ' GLN . 4.0 t -109.71 174.05 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.769 ' HA ' HD12 ' A' ' 34' ' ' ILE . 12.6 mm-40 -36.32 -63.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.44 -60.93 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.436 ' OD1' ' C ' ' A' ' 33' ' ' ASP . 3.5 t0 -52.7 -46.92 67.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.769 HD12 ' HA ' ' A' ' 31' ' ' GLN . 55.7 mt -51.69 -65.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -40.87 -49.38 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -62.95 -37.81 88.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.6 82.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.543 ' CG ' ' CD2' ' A' ' 66' ' ' TYR . 17.6 t80 -60.52 -67.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -36.58 -59.28 0.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 40' ' ' LYS . 8.6 tmtt? -44.4 -52.0 8.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.459 HD23 ' CD1' ' A' ' 45' ' ' TRP . 10.7 mt -65.64 -35.34 80.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.31 71.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -77.5 -43.81 30.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.27 -53.62 13.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.459 ' CD1' HD23 ' A' ' 41' ' ' LEU . 76.5 m95 -83.17 12.78 4.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.432 ' ND1' ' HB2' ' A' ' 48' ' ' ASP . 1.7 t-160 -56.28 125.75 66.08 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.85 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 54.2 Cg_endo -69.72 -26.28 27.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.432 ' HB2' ' ND1' ' A' ' 46' ' ' HIS . 4.3 m-20 -62.08 -36.59 82.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -96.6 -29.99 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.475 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 31.0 m-20 -74.4 118.68 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -99.17 -34.68 10.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -56.21 141.53 69.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.627 0.727 . . . . 0.0 110.834 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.02 5.43 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.06 -40.25 1.67 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -43.31 -42.41 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.724 0.297 . . . . 0.0 111.084 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -57.64 -55.22 37.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.444 ' HA ' HD12 ' A' ' 60' ' ' ILE . 18.1 t0 -42.4 -58.55 2.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -57.12 -47.66 80.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.413 ' CD1' ' HD3' ' A' ' 47' ' ' PRO . 72.4 t80 -47.29 -48.54 24.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 57' ' ' ASP . 34.8 mt -51.79 -48.43 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.41 ' OE1' ' CE2' ' A' ' 17' ' ' PHE . 12.2 mm100 -58.66 -48.59 80.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.6 mt -54.41 -53.75 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 t -62.23 -47.14 85.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -61.73 -29.5 70.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.666 ' HB2' HG11 ' A' ' 22' ' ' VAL . . . -72.14 -51.0 23.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.702 ' HB2' HD21 ' A' ' 23' ' ' LEU . 9.4 t80 -67.39 -44.25 79.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -38.52 -45.33 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 75.6 mt -55.35 -66.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.475 HD21 ' CE1' ' A' ' 20' ' ' TYR . 33.5 mt -56.53 -54.69 42.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 69' ' ' LEU . 22.2 t -34.25 -49.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 73' ' ' GLU . 20.5 t-20 -72.35 123.59 23.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 7.6 pt-20 -56.82 -37.19 70.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.469 ' N ' ' OD1' ' A' ' 71' ' ' ASN . 2.8 tt0 -71.19 -67.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.417 ' HE2' ' CB ' ' A' ' 71' ' ' ASN . 36.4 mtmt -45.23 -43.36 10.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.9 ttt-85 -57.91 -62.74 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 31.9 m -50.8 -48.47 59.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -43.69 -57.39 3.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -47.16 -64.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -48.7 -48.19 40.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -56.04 -31.03 62.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -73.4 -21.24 60.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.93 37.67 74.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.8 m 58.66 42.88 19.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.884 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -103.07 154.19 18.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 123.68 10.34 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.9 t -64.21 -49.81 70.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.3 p -83.13 147.61 27.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m 58.31 42.89 20.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -92.82 -45.61 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.798 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.59 171.39 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -129.92 139.59 51.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -86.47 174.29 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.24 133.47 1.72 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.3 mm -98.72 134.17 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -111.16 125.6 53.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -97.65 142.9 28.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.6 p -149.85 124.97 10.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.807 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mp -102.71 126.7 49.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.2 m -70.09 142.62 52.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.73 -35.34 15.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 16' ' ' ASP . 1.3 pt? -115.64 175.01 5.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' LEU . 16.5 t70 -36.19 -50.6 0.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 4.9 p90 -157.32 158.23 35.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.465 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.1 m-20 -100.58 143.37 26.41 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.642 0.734 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.47 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 54.0 Cg_endo -69.71 -38.27 8.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.352 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -69.9 -41.78 74.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -64.94 -45.82 84.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 18' ' ' ASP . 55.5 t -61.63 -58.88 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.633 HD21 ' HB2' ' A' ' 66' ' ' TYR . 27.6 mt -56.57 -36.75 69.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.19 38.61 3.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 m -125.37 165.78 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 m -115.07 173.46 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -21.08 49.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.4 p -72.88 -14.74 61.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.88 132.81 34.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' GLN . 35.1 m -97.96 162.63 13.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.886 ' HA ' HD12 ' A' ' 34' ' ' ILE . 15.5 tp60 -35.68 -49.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.66 -66.77 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -43.15 -40.68 3.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.886 HD12 ' HA ' ' A' ' 31' ' ' GLN . 45.5 mt -56.16 -56.67 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -41.21 -60.44 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -51.11 -37.69 47.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.78 85.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.451 ' CG ' ' CD2' ' A' ' 66' ' ' TYR . 3.9 t80 -62.46 -52.64 62.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -39.71 -60.45 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -46.1 -65.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.574 ' HB3' HD13 ' A' ' 62' ' ' ILE . 35.2 mt -48.69 -38.58 21.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.42 -33.15 73.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.071 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -76.43 -45.32 31.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -71.59 -54.53 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.488 ' CE3' ' HB3' ' A' ' 58' ' ' ARG . 84.4 m95 -80.5 12.83 2.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.49 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.2 t-80 -54.42 115.79 9.31 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.594 0.712 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.58 ' HD3' ' CD2' ' A' ' 59' ' ' PHE . 53.6 Cg_endo -69.79 -25.16 28.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.49 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 3.9 m-20 -65.25 -32.15 73.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -100.97 -30.11 11.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 25.6 m-20 -77.53 115.89 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.04 -33.2 12.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -55.95 142.06 65.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.566 0.698 . . . . 0.0 110.904 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 118.18 5.53 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.83 -43.89 1.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -44.64 -40.96 6.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.728 0.299 . . . . 0.0 111.056 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ASP . 13.4 tt0 -60.88 -55.67 30.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' HA ' HD12 ' A' ' 60' ' ' ILE . 2.2 t70 -36.19 -62.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.488 ' HB3' ' CE3' ' A' ' 45' ' ' TRP . 10.6 tpt180 -52.61 -55.31 23.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.58 ' CD2' ' HD3' ' A' ' 47' ' ' PRO . 7.0 t80 -44.04 -54.68 5.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 57' ' ' ASP . 54.8 mt -45.08 -45.48 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.68 -45.94 84.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.574 HD13 ' HB3' ' A' ' 41' ' ' LEU . 35.5 mt -55.71 -61.11 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 t -49.69 -46.49 50.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -64.03 -37.7 88.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.47 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -64.24 -53.08 54.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.633 ' HB2' HD21 ' A' ' 23' ' ' LEU . 15.7 t80 -66.62 -47.69 71.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -38.66 -51.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.1 mt -52.72 -53.77 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.433 HD12 HD12 ' A' ' 23' ' ' LEU . 24.1 mt -65.09 -61.89 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.508 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 10.5 t -38.42 -47.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.478 ' CB ' ' HD3' ' A' ' 74' ' ' LYS . 8.1 m-80 -76.46 116.31 17.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -55.5 -40.59 71.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -59.02 -60.15 4.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.478 ' HD3' ' CB ' ' A' ' 71' ' ' ASN . 0.2 OUTLIER -57.4 -54.85 42.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -44.45 -53.14 7.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 79.3 m -61.96 -62.41 1.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.0 -48.08 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 82' ' ' GLY . 3.4 t80 -61.61 -47.3 86.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -60.36 -61.77 2.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -56.32 -45.59 80.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -72.78 -21.63 60.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' TYR . . . 83.55 -19.43 14.8 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 97.4 p -154.14 150.24 27.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.963 0.411 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -89.08 158.54 28.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 135.89 31.46 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.328 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.2 t -63.07 148.7 47.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.0 m -70.82 107.37 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -96.33 132.51 41.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.891 0.377 . . . . 0.0 110.841 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -101.04 119.32 38.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.811 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.58 52.3 0.14 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -93.76 121.5 35.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.926 0.393 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.4 p -150.71 163.19 39.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.88 123.32 0.67 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.442 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.618 ' C ' HD22 ' A' ' 9' ' ' LEU . 58.2 mt -103.92 126.1 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.618 HD22 ' C ' ' A' ' 8' ' ' ILE . 3.7 mm? -120.09 150.52 40.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -63.98 141.14 58.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.9 p -86.98 -45.86 10.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mp -95.17 -58.97 2.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 t -40.95 -57.76 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 163.8 6.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.816 HD22 ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -82.47 178.2 8.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -90.31 -10.27 44.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.816 ' O ' HD22 ' A' ' 15' ' ' LEU . 1.5 p90 -157.83 138.24 12.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.815 ' O ' HG23 ' A' ' 22' ' ' VAL . 19.0 m-20 -93.58 142.84 25.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.619 0.723 . . . . 0.0 110.851 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -45.51 1.52 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.349 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.514 ' HE1' HD22 ' A' ' 69' ' ' LEU . 6.4 m-85 -61.67 -37.12 82.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -70.57 -43.44 69.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 18' ' ' ASP . 94.4 t -59.48 -56.13 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.3 mt -63.61 -33.19 75.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.27 47.05 3.92 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 m -131.32 165.54 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.86 178.08 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -57.12 -31.27 65.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 t -65.56 -22.14 66.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.48 130.32 42.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' GLN . 50.1 p -113.0 172.45 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 30' ' ' SER . 17.3 mm-40 -36.94 -40.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.15 -63.9 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -51.44 -45.28 62.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.519 HG22 ' CD1' ' A' ' 66' ' ' TYR . 74.8 mt -59.92 -65.9 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -47.81 -38.87 16.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -69.53 -40.58 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.23 -38.78 82.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -60.77 -60.44 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -47.95 -59.0 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -48.16 -46.36 34.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mt -62.94 -41.76 99.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.08 92.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -66.84 -43.75 82.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.49 -54.21 11.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -82.54 17.21 1.84 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -61.79 132.51 93.35 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.81 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -29.39 24.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.728 2.285 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.45 -36.18 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -95.61 -30.17 13.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -77.82 131.76 37.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -101.27 -32.64 10.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.66 131.93 71.85 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.562 0.696 . . . . 0.0 110.903 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 117.74 5.26 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.752 2.301 . . . . 0.0 112.36 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 129.42 -38.91 1.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' GLY . . . -37.05 -39.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -52.73 -49.6 65.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.89 -57.87 3.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -57.58 -48.49 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.465 ' HA ' HD12 ' A' ' 62' ' ' ILE . 83.4 t80 -47.57 -44.97 26.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.0 mt -60.18 -48.12 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -61.31 -46.93 88.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 59' ' ' PHE . 79.6 mt -49.61 -47.37 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -69.61 -45.42 68.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.437 ' HA ' ' CD ' ' A' ' 67' ' ' GLU . 53.2 mmtt -63.12 -22.92 67.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.64 -34.39 27.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.562 ' CE1' ' HB3' ' A' ' 70' ' ' SER . 17.6 t80 -78.63 -49.69 12.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' CD ' ' HA ' ' A' ' 64' ' ' LYS . 13.9 pt-20 -42.76 -36.5 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.44 -57.46 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.514 HD22 ' HE1' ' A' ' 20' ' ' TYR . 24.0 mt -65.66 -57.92 6.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.562 ' HB3' ' CE1' ' A' ' 66' ' ' TYR . 60.7 p -34.56 -49.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -79.72 131.18 35.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -59.07 -54.14 50.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -49.51 -67.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -49.97 -49.92 48.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.4 ttp85 -48.38 -59.0 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 94.4 m -58.81 -45.87 88.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -48.39 -39.16 21.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -62.71 -41.89 99.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.17 -46.52 56.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -55.31 -31.05 61.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -69.7 -21.97 63.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.95 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 83' ' ' SER . . . 111.47 39.16 1.37 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 82' ' ' GLY . 26.4 p -35.02 -43.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.373 . . . . 0.0 110.856 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -104.89 169.33 16.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.31 20.99 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.3 m -160.71 165.47 30.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.4 m -87.16 -61.95 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.481 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -76.12 -47.52 24.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 m -83.1 165.03 19.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.13 139.53 3.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 m -124.0 156.97 35.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 110.855 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -127.24 138.74 53.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.66 157.93 17.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.0 tt -55.89 155.95 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.865 0.364 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.7 mt -131.85 150.0 52.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -111.79 132.17 54.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -125.4 145.01 50.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mp -77.43 -58.2 3.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.4 p -110.82 157.22 20.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.24 172.33 18.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -114.02 177.78 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -42.01 -58.44 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.6 p90 -149.18 147.35 28.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.798 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.8 t70 -93.53 141.16 23.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.592 0.711 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 54.0 Cg_endo -69.77 -41.86 3.9 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.332 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -69.44 -42.62 74.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -63.66 -47.65 80.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 18' ' ' ASP . 99.2 t -59.59 -64.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.6 mt -53.38 -34.3 57.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.64 46.32 3.22 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.414 ' HB ' ' HB2' ' A' ' 29' ' ' ALA . 0.8 OUTLIER -131.05 177.33 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 111.114 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.446 ' HB3' HG22 ' A' ' 28' ' ' THR . 1.1 t -113.52 178.14 4.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.9 mmm-85 -63.84 -26.96 68.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.446 HG22 ' HB3' ' A' ' 26' ' ' SER . 9.0 t -76.64 -8.84 58.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.414 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . . . -60.33 123.46 17.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 32' ' ' ALA . 3.6 m -100.35 157.27 16.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 30' ' ' SER . 51.1 mm-40 -34.36 -33.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -70.53 -59.44 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.063 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.61 -43.57 80.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.4 mt -62.32 -54.8 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -51.88 -44.11 63.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -66.0 -37.23 85.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.69 -29.58 63.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -73.9 -65.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 43' ' ' ARG . 22.3 mttm -43.41 -44.45 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -59.64 4.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.6 mt -59.0 -57.9 11.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.5 -38.39 20.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 39' ' ' LYS . 79.7 mtt180 -65.55 -45.18 84.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -68.7 -54.92 13.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.409 ' CD1' ' CD1' ' A' ' 62' ' ' ILE . 79.7 m95 -78.9 8.22 5.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CE1' ' HB3' ' A' ' 48' ' ' ASP . 4.5 t-80 -54.23 125.2 49.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.605 0.716 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.411 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.9 Cg_endo -69.77 -1.04 7.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.497 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -77.88 -37.74 47.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -101.35 -29.94 11.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.464 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 30.3 m-20 -69.26 121.05 16.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -101.64 -33.16 10.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.24 141.68 76.85 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.0 5.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.356 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.14 -39.44 1.85 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.03 -36.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 111.091 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ASP . 24.3 tt0 -58.29 -63.73 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' GLU . 3.2 m-20 -36.75 -60.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.12 -45.54 53.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -63.22 -32.86 74.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.6 mm -58.03 -37.76 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -77.37 -47.29 20.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.409 ' CD1' ' CD1' ' A' ' 45' ' ' TRP . 50.1 mt -54.69 -45.79 73.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 t -69.84 -44.86 69.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -61.67 -35.92 79.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.34 82.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.425 ' CD2' ' HB2' ' A' ' 70' ' ' SER . 16.8 t80 -67.38 -44.78 78.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -38.41 -40.07 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 34.1 mt -68.53 -58.27 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 70' ' ' SER . 32.0 mt -64.96 -60.82 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 69' ' ' LEU . 4.6 t -34.55 -48.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -84.14 130.81 34.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -64.19 -48.19 76.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -51.73 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -55.78 -51.78 66.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -47.24 -61.48 1.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 82.1 m -60.74 -56.93 15.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -41.36 -43.09 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.482 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.4 OUTLIER -60.4 -51.98 67.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -58.1 -31.62 67.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -57.6 -55.6 32.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -78.6 -21.99 47.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.47 -18.69 8.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t -97.89 -67.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.937 0.398 . . . . 0.0 110.902 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 173.8 -157.87 26.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 150.76 68.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.2 m -101.56 158.75 15.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 t -88.2 -49.21 7.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.481 -179.998 . . . . . . . . 0 0 . 1 . 007 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 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.1 p -152.75 128.03 9.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.897 0.38 . . . . 0.0 110.823 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -131.15 125.2 32.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.67 120.12 5.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.441 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -167.1 170.75 11.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 p 53.06 39.56 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.78 167.2 38.46 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.5 mt -132.06 138.22 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 9' ' ' LEU . 4.4 pp -53.84 146.14 14.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -50.98 -61.62 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 t -167.08 164.23 15.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.9 tp -149.62 121.55 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.8 m -149.28 137.51 20.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.34 -41.34 8.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -87.67 170.74 11.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -38.52 -61.19 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.487 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 4.7 p90 -144.09 148.09 34.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.32 144.06 27.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.719 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -43.66 2.53 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.325 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -62.54 -37.45 86.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -68.44 -43.81 76.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.0 t -61.46 -53.89 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.569 HD13 HG23 ' A' ' 34' ' ' ILE . 59.6 mt -65.77 -34.47 78.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.54 44.98 3.56 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -136.25 165.39 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.108 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -111.73 174.25 5.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -51.95 -33.86 39.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.429 ' N ' ' HG2' ' A' ' 27' ' ' ARG . 24.1 p -59.64 -24.74 64.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' A' ' 33' ' ' ASP . . . -72.86 127.78 33.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' ALA . 8.0 m -107.35 169.86 8.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' SER . 2.1 tp60 -34.67 -33.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -68.38 -59.64 3.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.496 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 6.0 t0 -60.03 -44.42 94.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.569 HG23 HD13 ' A' ' 23' ' ' LEU . 32.7 mt -61.38 -49.37 84.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -56.09 -55.95 26.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -59.31 -39.46 83.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.99 -39.11 90.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -62.65 -58.98 5.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -59.55 2.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -42.33 -51.92 4.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mt -60.39 -56.99 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.49 -41.26 29.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.5 mtt85 -62.72 -45.14 94.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -68.73 -57.78 5.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.508 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 82.9 m95 -77.51 8.52 4.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.417 ' ND1' ' HD2' ' A' ' 47' ' ' PRO . 1.3 t-80 -51.97 115.84 7.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.521 ' HD3' ' CG ' ' A' ' 59' ' ' PHE . 53.4 Cg_endo -69.72 -8.2 23.0 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.742 2.295 . . . . 0.0 112.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -77.6 -37.29 50.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -99.27 -27.19 13.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.515 HD22 ' HB1' ' A' ' 55' ' ' ALA . 33.7 m-20 -73.47 132.27 42.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.38 -35.44 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -53.13 137.28 48.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 112.42 3.07 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.71 -40.24 1.64 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.515 ' HB1' HD22 ' A' ' 50' ' ' ASN . . . -40.05 -44.66 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -55.77 -45.18 78.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -49.63 -49.94 45.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.508 ' HG2' ' CD2' ' A' ' 45' ' ' TRP . 20.4 tpt85 -62.91 -44.59 95.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.582 ' HA ' HD12 ' A' ' 62' ' ' ILE . 46.1 t80 -53.66 -42.94 68.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.3 mt -56.63 -44.48 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.163 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -62.39 -51.71 66.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 59' ' ' PHE . 20.0 mt -50.81 -51.72 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -58.97 -46.06 89.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -60.04 -40.67 90.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.23 -51.65 69.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.52 ' CD1' HG22 ' A' ' 34' ' ' ILE . 12.2 t80 -66.09 -44.37 84.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -38.55 -47.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.29 -62.26 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' SER . 11.8 mt -61.24 -63.74 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.474 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 19.7 t -37.05 -49.42 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -76.98 128.03 33.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -61.86 -47.48 84.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -52.42 -61.45 2.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -56.08 -54.02 50.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -46.78 -57.4 4.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.843 HG22 ' CD2' ' A' ' 80' ' ' HIS . 26.4 m -57.18 -44.48 83.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -52.37 -42.42 63.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -48.44 -61.49 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.94 -43.64 98.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.843 ' CD2' HG22 ' A' ' 76' ' ' THR . 5.0 m-70 -55.08 -29.2 57.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -71.08 -21.97 62.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.45 38.83 13.5 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 t -91.13 134.82 34.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.855 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.59 -165.76 18.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.54 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -47.27 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.679 2.252 . . . . 0.0 112.34 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.2 p -65.24 134.86 54.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.5 m -81.54 -62.36 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -79.77 -52.82 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.853 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -133.83 168.54 18.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.69 155.47 24.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -99.98 175.35 5.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -144.89 144.92 31.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.93 38.77 97.13 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.456 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.797 HD13 HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -74.45 3.35 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 111.173 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.797 HD12 HD13 ' A' ' 8' ' ' ILE . 5.1 mp -79.9 135.33 36.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -92.67 146.53 23.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.4 p -116.76 151.77 35.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.9 mt -80.11 -59.1 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.0 m -124.04 145.53 49.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.79 153.31 35.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.67 HD11 ' O ' ' A' ' 17' ' ' PHE . 2.2 pt? -80.06 175.89 10.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -49.77 -52.15 33.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.67 ' O ' HD11 ' A' ' 15' ' ' LEU . 5.0 p90 -151.29 150.18 30.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.724 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.3 m-20 -94.65 144.01 27.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 54.0 Cg_endo -69.79 -46.88 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -61.35 -41.74 97.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -65.46 -43.94 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 18' ' ' ASP . 54.2 t -58.09 -56.02 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.45 HD13 HG23 ' A' ' 34' ' ' ILE . 36.3 mt -65.47 -28.65 69.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.28 39.65 5.97 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -129.98 175.23 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 111.092 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -114.98 173.53 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.2 ptt-85 -56.32 -30.05 62.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.1 p -66.96 -20.78 65.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.64 129.55 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 32' ' ' ALA . 21.9 t -106.4 165.73 11.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' SER . 57.4 mm-40 -35.6 -34.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -67.42 -61.92 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -55.41 -42.79 74.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.475 HG22 ' CD1' ' A' ' 66' ' ' TYR . 33.2 mt -64.55 -55.24 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -55.81 -27.37 50.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -85.71 -36.13 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.26 -23.85 60.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.096 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.546 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 1.8 t80 -75.55 -66.96 0.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.546 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 18.4 mttt -45.55 -45.05 13.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.51 -57.5 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mt -61.36 -58.8 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.417 ' HB1' ' HE1' ' A' ' 59' ' ' PHE . . . -48.27 -28.38 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -79.07 -38.66 35.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -74.15 -53.71 9.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -80.56 10.48 4.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.574 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.8 t-80 -59.43 135.16 88.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.574 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 53.8 Cg_endo -69.77 -34.82 13.77 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.284 . . . . 0.0 112.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.44 -34.53 66.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -100.07 -30.11 12.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.404 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 3.7 m120 -80.06 107.91 13.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -38.09 65.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -53.7 132.83 55.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.733 . . . . 0.0 110.854 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 118.47 5.7 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.12 -33.15 3.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.52 -36.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.723 0.297 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.55 -50.79 70.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -38.61 -56.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -56.5 -52.93 62.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.417 ' HE1' ' HB1' ' A' ' 42' ' ' ALA . 52.7 t80 -45.21 -43.43 10.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.3 mt -57.14 -51.32 70.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -59.53 -49.29 78.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 32.2 mt -53.83 -48.08 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 t -67.12 -45.71 76.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -58.57 -37.76 76.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.407 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -63.85 -47.86 79.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 9.3 t80 -65.81 -45.75 81.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -42.09 -32.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.7 mt -70.93 -64.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.3 mt -59.9 -53.86 52.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.541 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 23.0 t -34.86 -52.33 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -81.75 138.27 35.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -63.07 -59.92 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -47.22 -53.59 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -60.57 -36.78 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -66.68 -41.09 88.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.5 m -75.83 -64.36 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 78' ' ' TYR . 1.3 p-10 -42.39 -39.23 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.467 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 4.7 t80 -57.22 -59.7 4.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.52 -46.92 87.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -56.98 -29.04 62.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -71.23 -21.81 62.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.34 30.23 41.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.2 m -89.79 142.68 27.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.929 0.395 . . . . 0.0 110.869 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 101.55 174.64 28.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -19.62 35.96 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.6 t -57.35 123.68 16.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.815 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.5 t 58.5 43.44 19.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.501 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -92.19 172.36 8.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.5 p -76.54 -39.44 52.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.61 145.49 7.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 p -55.32 153.16 7.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.819 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 m -140.16 126.42 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.57 60.91 7.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.6 pt -96.93 151.05 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mp -109.15 154.17 22.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -130.06 111.49 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -119.87 122.48 41.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -160.36 157.71 28.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m -72.93 169.84 16.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -117.91 124.51 48.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' ASP . 1.0 OUTLIER -164.08 172.35 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' LEU . 7.9 t70 -37.51 -55.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.498 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 4.0 p90 -157.03 143.91 18.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.92 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.6 m-20 -94.9 143.37 26.03 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.606 0.717 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.548 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 53.8 Cg_endo -69.7 -48.32 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -62.2 -41.53 98.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -63.86 -40.49 96.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 18' ' ' ASP . 88.8 t -65.07 -53.06 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' A' ' 66' ' ' TYR . 90.6 mt -69.72 -15.45 63.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.04 44.45 54.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.497 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -119.42 168.7 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 111.144 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -116.96 178.07 4.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.466 ' CD ' ' H ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -63.19 -20.47 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.0 p -74.54 -16.62 60.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.97 126.83 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' GLN . 89.5 p -104.01 166.07 10.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.579 ' HA ' HD12 ' A' ' 34' ' ' ILE . 32.1 tp60 -37.03 -34.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.16 -58.5 4.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -59.85 -40.9 90.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 31' ' ' GLN . 27.4 mt -56.06 -48.63 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.3 tttt -57.42 -43.91 84.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -66.97 -31.98 72.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.99 -43.65 74.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.076 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -57.89 -62.32 1.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -38.05 -67.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -41.78 -57.77 2.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.473 HD23 ' CD1' ' A' ' 45' ' ' TRP . 8.8 mt -54.23 -37.28 64.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.08 -35.6 71.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -73.45 -42.24 62.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -74.0 -53.77 9.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.473 ' CD1' HD23 ' A' ' 41' ' ' LEU . 86.5 m95 -81.42 15.61 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.558 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.8 t-80 -61.02 134.88 93.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.562 0.696 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.558 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 54.0 Cg_endo -69.71 -32.99 17.7 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.47 -34.16 70.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -95.66 -30.04 13.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 34.2 m-20 -79.87 119.52 22.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -97.91 -25.12 15.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.1 141.7 98.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.634 0.73 . . . . 0.0 110.871 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 116.51 4.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 57' ' ' ASP . . . 129.52 -41.57 1.53 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -36.98 -39.31 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.743 ' OE2' HD11 ' A' ' 60' ' ' ILE . 11.7 tm-20 -62.17 -45.91 91.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' GLY . 31.2 t0 -48.06 -53.21 17.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.1 tpp85 -64.93 -47.41 77.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -45.92 -35.8 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.743 HD11 ' OE2' ' A' ' 56' ' ' GLU . 64.1 mt -69.95 -47.3 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -58.82 -38.35 78.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.5 mt -61.01 -47.5 93.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 t -68.2 -43.14 78.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -60.36 -37.15 79.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.548 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -64.46 -57.73 8.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.517 ' CE1' HG22 ' A' ' 34' ' ' ILE . 13.4 t80 -56.65 -43.34 80.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -38.42 -51.08 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.7 mt -53.08 -51.0 42.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 70' ' ' SER . 7.8 mt -72.82 -64.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.471 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . 8.7 t -34.33 -52.41 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -70.71 107.02 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -40.14 -60.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -46.29 -65.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -44.41 -49.57 9.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.946 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.3 ttp85 -57.09 -61.93 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 63.3 m -50.32 -40.1 47.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.418 ' O ' ' CD2' ' A' ' 81' ' ' TYR . 74.3 m-20 -55.07 -49.86 70.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.42 ' CE1' ' O ' ' A' ' 83' ' ' SER . 0.7 OUTLIER -55.01 -61.13 2.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -49.08 -52.15 27.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -47.98 -43.43 29.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 77' ' ' ASN . 26.7 m-85 -83.37 -22.02 32.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 54.01 38.99 61.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.42 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 80.4 p -167.53 171.37 10.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.388 . . . . 0.0 110.858 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.25 107.33 3.5 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 147.93 64.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.7 p -88.17 134.1 33.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.3 p -38.6 -41.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t -132.44 129.0 38.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.823 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -111.4 133.87 53.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.17 166.46 12.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -141.48 136.96 31.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -100.8 150.67 22.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.91 123.79 0.82 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.2 pt -87.9 156.57 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mp -89.96 137.79 32.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -74.95 -62.54 1.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 t -122.38 175.24 6.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mt -110.96 109.33 19.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.1 m -89.19 -51.54 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.85 173.36 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.435 HD11 ' O ' ' A' ' 17' ' ' PHE . 2.0 pt? -74.76 174.66 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -43.36 -56.16 3.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.519 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 2.5 p90 -140.63 144.78 35.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.588 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.2 m-20 -93.56 143.15 26.15 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -43.17 2.83 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.713 2.275 . . . . 0.0 112.315 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -64.51 -39.83 94.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -64.49 -44.87 89.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 18' ' ' ASP . 69.2 t -59.97 -56.99 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.493 HD13 HG23 ' A' ' 34' ' ' ILE . 62.9 mt -64.84 -41.25 95.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.9 47.16 2.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -125.35 174.46 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.605 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 2.9 m -125.7 174.45 8.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -45.43 -58.92 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.9 p -46.23 -22.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 26' ' ' SER . . . -72.68 116.79 13.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLN . 53.4 m -106.97 174.33 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.454 ' NE2' ' CD ' ' A' ' 75' ' ' ARG . 7.2 mm-40 -34.62 -42.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.48 -63.58 1.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -52.26 -45.52 65.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.493 HG23 HD13 ' A' ' 23' ' ' LEU . 53.4 mt -54.83 -57.29 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' CG ' ' HE2' ' A' ' 39' ' ' LYS . 5.5 ttpm? -44.21 -63.26 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -50.07 -33.24 17.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 34' ' ' ILE . . . -67.5 -49.48 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 42' ' ' ALA . 17.9 t80 -56.48 -60.02 4.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' HE2' ' CG ' ' A' ' 35' ' ' LYS . 3.3 mptp? -36.49 -50.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -56.92 -57.82 10.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 15.9 mt -56.79 -59.04 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.416 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . . . -52.78 -34.61 54.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -73.15 -43.31 61.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -68.97 -58.39 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.56 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 64.6 m95 -78.66 10.63 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -54.39 120.04 23.98 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 0.96 4.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -89.18 -35.0 16.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -99.22 -29.93 12.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.807 HD22 ' HB1' ' A' ' 55' ' ' ALA . 31.8 m-20 -68.13 133.86 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.97 -41.64 7.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -53.34 132.86 52.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.73 . . . . 0.0 110.848 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.6 3.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.38 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ASP . . . 132.66 -37.21 2.05 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.807 ' HB1' HD22 ' A' ' 50' ' ' ASN . . . -36.93 -40.39 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.724 0.297 . . . . 0.0 111.063 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -54.17 -47.85 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.45 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.1 t70 -43.01 -59.43 2.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.56 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 18.1 tpt180 -54.82 -48.73 72.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.688 ' HA ' HD12 ' A' ' 62' ' ' ILE . 3.7 t80 -49.05 -49.76 39.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 57' ' ' ASP . 60.7 mt -47.71 -44.12 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -60.82 -53.94 51.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 59' ' ' PHE . 17.9 mt -47.96 -49.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.7 t -61.17 -49.24 78.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -56.87 -40.15 75.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.48 -50.17 68.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 70' ' ' SER . 17.4 t80 -62.13 -48.07 81.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -38.42 -43.58 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.3 mt -57.41 -51.68 66.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' SER . 6.2 mt -75.56 -59.57 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 13.3 t -36.67 -44.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -74.58 120.87 20.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -56.34 -44.23 79.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.97 -61.59 1.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -50.11 -44.21 52.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.454 ' CD ' ' NE2' ' A' ' 31' ' ' GLN . 55.4 ttt-85 -58.07 -61.6 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' ASN . 86.5 m -42.42 -60.48 1.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 76' ' ' THR . 56.2 m-20 -36.61 -51.53 0.85 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.36 -59.29 4.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.12 -47.38 62.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -51.28 -44.99 61.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.46 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 6.3 m-85 -72.92 -21.85 60.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.58 39.41 96.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.8 t 55.46 41.99 30.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.906 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.08 174.0 37.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 85.45 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.46 ' HB3' ' CG ' ' A' ' 81' ' ' TYR . 12.1 t -93.22 138.11 31.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.7 m -55.44 -60.63 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -98.35 143.01 29.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m 56.79 44.34 23.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.65 98.37 2.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.45 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -83.94 -59.33 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 0.0 110.855 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -56.1 135.4 52.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.74 -156.95 12.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.79 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -102.85 155.79 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 111.126 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.6 tp -154.65 160.25 41.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -65.18 113.44 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 t -82.34 -61.82 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 mt -130.82 170.6 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.4 m -59.54 124.94 21.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.65 162.9 24.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.542 HD22 ' OH ' ' A' ' 78' ' ' TYR . 1.8 pt? -118.14 172.17 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 15' ' ' LEU . 43.1 m-20 -36.12 -58.75 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.442 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 6.4 p90 -149.14 162.16 40.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.857 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.4 t70 -111.91 141.18 24.33 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.597 0.713 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.532 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 53.5 Cg_endo -69.76 -39.67 6.22 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.743 2.295 . . . . 0.0 112.339 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.457 ' CE1' HD21 ' A' ' 69' ' ' LEU . 13.0 m-85 -68.82 -47.67 65.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -60.82 -44.62 96.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.857 HG23 ' O ' ' A' ' 18' ' ' ASP . 95.5 t -63.56 -55.62 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.533 ' CD1' HG23 ' A' ' 34' ' ' ILE . 10.6 mt -58.36 -22.74 54.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.07 49.42 5.31 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -137.59 166.79 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 111.121 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -114.18 177.55 4.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -55.21 -30.92 60.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.3 p -64.75 -22.89 67.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.75 126.28 29.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' GLN . 7.1 m -106.29 163.89 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.943 ' HA ' HD12 ' A' ' 34' ' ' ILE . 24.7 mm-40 -35.87 -35.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.04 -57.83 7.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.499 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 5.4 m-20 -59.61 -37.82 79.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.943 HD12 ' HA ' ' A' ' 31' ' ' GLN . 21.2 mt -56.44 -48.91 79.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -55.6 -54.51 43.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.499 ' CD ' ' HA ' ' A' ' 33' ' ' ASP . 13.3 ptmt -59.06 -48.66 80.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.39 -23.23 63.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.633 ' CD2' ' CD2' ' A' ' 66' ' ' TYR . 2.7 t80 -73.88 -68.02 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -48.08 -45.63 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -50.43 -55.59 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 23' ' ' LEU . 9.6 mt -60.84 -41.63 96.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.79 81.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 14.2 mtp-105 -76.89 -37.63 55.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -70.72 -57.37 4.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -83.52 12.73 5.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.506 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 5.2 t-80 -54.69 139.89 59.65 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.631 0.729 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.507 ' HD3' ' CG ' ' A' ' 59' ' ' PHE . 53.8 Cg_endo -69.79 -42.34 3.46 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.412 ' HB2' ' ND1' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -56.47 -31.44 64.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.868 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -92.77 -30.09 15.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.632 ' ND2' ' HB1' ' A' ' 55' ' ' ALA . 64.8 m-20 -85.24 126.31 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -98.5 -32.6 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.15 139.64 64.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.631 0.729 . . . . 0.0 110.867 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 116.13 4.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 119.71 -38.97 2.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.632 ' HB1' ' ND2' ' A' ' 50' ' ' ASN . . . -36.97 -43.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.761 0.315 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -50.72 -45.11 58.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.71 ' HA ' HD12 ' A' ' 60' ' ' ILE . 4.7 m-20 -42.72 -54.69 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -54.19 -49.16 69.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.507 ' CG ' ' HD3' ' A' ' 47' ' ' PRO . 53.5 t80 -54.16 -42.01 69.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 57' ' ' ASP . 38.1 mt -58.39 -42.61 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.134 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -68.91 -52.17 32.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.476 HG21 ' HB3' ' A' ' 41' ' ' LEU . 32.9 mt -50.65 -46.89 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -63.22 -47.21 83.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -58.28 -37.85 75.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.532 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -60.0 -46.74 88.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.633 ' CD2' ' CD2' ' A' ' 38' ' ' TYR . 13.2 t80 -70.39 -42.81 71.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -41.7 -36.47 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.2 mt -73.27 -53.53 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.874 HD23 ' HD3' ' A' ' 75' ' ' ARG . 10.6 mt -66.48 -61.37 2.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 66' ' ' TYR . 59.9 p -41.48 -40.18 1.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -82.5 139.09 34.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -76.57 -50.47 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -52.77 -52.49 56.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -62.45 -62.45 1.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.874 ' HD3' HD23 ' A' ' 69' ' ' LEU . 26.8 tpt180 -47.07 -63.7 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 62.2 m -46.04 -37.83 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -68.66 -49.06 62.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.542 ' OH ' HD22 ' A' ' 15' ' ' LEU . 12.3 t80 -58.72 -59.15 5.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -53.83 -54.94 31.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -52.8 -39.25 62.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.448 ' CD2' ' HA3' ' A' ' 84' ' ' GLY . 4.6 t80 -71.62 -18.08 62.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.69 40.01 54.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.511 ' HA ' ' CE1' ' A' ' 78' ' ' TYR . 35.0 m 57.81 42.35 23.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.972 0.415 . . . . 0.0 110.892 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.448 ' HA3' ' CD2' ' A' ' 81' ' ' TYR . . . -79.14 152.48 36.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -174.93 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.8 p -137.98 158.34 44.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.2 t -60.87 -55.02 38.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 m -60.49 149.57 33.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p -119.98 124.46 45.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.828 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.21 -155.09 0.9 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.8 p -108.99 150.75 27.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.835 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -54.1 -62.51 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.43 56.91 3.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.446 HD11 ' NH1' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -73.26 161.51 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 111.123 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.28 110.34 14.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.86 148.7 42.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.0 p -86.26 -55.56 3.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mp -140.34 138.42 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.5 m -114.36 144.7 42.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.85 92.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' ASP . 2.2 pt? -135.14 177.44 7.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' LEU . 35.7 m-20 -35.34 -66.57 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 5.2 p90 -130.4 162.46 29.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 1.5 t70 -104.8 141.12 21.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.555 0.693 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.601 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 53.9 Cg_endo -69.71 -36.72 10.41 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -70.71 -39.82 73.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.957 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' NH1' HD11 ' A' ' 8' ' ' ILE . 27.3 mmt180 -66.41 -48.57 69.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 18' ' ' ASP . 69.1 t -59.58 -55.45 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.612 HD13 HG23 ' A' ' 34' ' ' ILE . 40.2 mt -60.21 -41.46 93.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.93 47.5 2.07 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.505 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.472 ' HB ' ' CB ' ' A' ' 29' ' ' ALA . 3.8 m -135.7 153.12 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -105.56 174.71 5.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -44.16 -53.45 6.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.3 m -43.4 -35.68 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.472 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . . . -66.97 122.78 18.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -102.02 177.19 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.598 ' HA ' HD12 ' A' ' 34' ' ' ILE . 9.2 tp-100 -43.03 -42.48 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.8 -62.24 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -54.14 -45.2 71.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.612 HG23 HD13 ' A' ' 23' ' ' LEU . 32.2 mt -54.31 -48.7 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.409 ' HG2' ' NZ ' ' A' ' 39' ' ' LYS . 3.0 ttmp? -51.52 -62.18 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -56.57 -43.79 80.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.86 82.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.453 ' HA ' HD22 ' A' ' 23' ' ' LEU . 2.4 t80 -57.22 -58.23 9.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.409 ' NZ ' ' HG2' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -49.14 -45.59 43.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -46.83 -59.16 3.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.467 ' HB3' HD13 ' A' ' 62' ' ' ILE . 13.3 mt -59.34 -55.63 32.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.12 -38.32 17.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -66.86 -44.46 80.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -68.64 -57.91 5.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.529 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 83.7 m95 -80.06 12.07 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.549 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.5 t-80 -52.66 117.39 10.76 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.6 0.714 . . . . 0.0 110.867 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.401 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.5 Cg_endo -69.84 -24.34 29.43 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.549 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 1.8 m-20 -67.66 -35.72 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 tttp -96.59 -29.93 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.514 ' ND2' ' HB1' ' A' ' 55' ' ' ALA . 29.0 m-20 -71.68 107.96 4.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -73.55 -42.48 61.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.31 132.69 52.45 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.621 0.724 . . . . 0.0 110.855 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 118.48 5.71 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.24 . . . . 0.0 112.331 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.57 -36.55 2.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.514 ' HB1' ' ND2' ' A' ' 50' ' ' ASN . . . -37.87 -41.74 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.713 0.292 . . . . 0.0 111.068 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' ASP . 51.5 tt0 -52.71 -53.53 46.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.454 ' HA ' HD12 ' A' ' 60' ' ' ILE . 6.3 t70 -34.67 -57.93 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.529 ' HG2' ' CD2' ' A' ' 45' ' ' TRP . 5.8 tpt85 -57.64 -48.91 78.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.691 ' HA ' HD12 ' A' ' 62' ' ' ILE . 17.5 t80 -50.64 -50.94 53.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 57' ' ' ASP . 63.6 mt -45.97 -45.97 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.66 -49.07 78.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 59' ' ' PHE . 19.7 mt -54.37 -55.3 15.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -55.96 -49.98 72.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -59.16 -40.62 86.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.601 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -56.6 -55.81 29.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.546 ' CD1' HG22 ' A' ' 34' ' ' ILE . 15.0 t80 -63.57 -42.69 98.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -40.04 -43.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.9 mt -61.26 -55.05 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' SER . 23.3 mt -67.01 -61.52 1.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 9.8 t -35.81 -48.84 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -69.14 145.86 52.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 4.6 pt-20 -80.69 -38.23 29.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 72' ' ' GLU . 24.1 mt-10 -66.72 -64.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -47.46 -54.69 10.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -51.85 -57.79 8.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 82.5 m -42.65 -64.14 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -42.04 -47.72 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -50.39 -59.94 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -58.02 -49.47 76.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -52.12 -34.26 43.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -68.67 -22.07 64.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 108.98 -19.85 29.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.9 p 52.55 40.1 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.4 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -154.92 157.36 27.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -50.24 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.383 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 m 61.39 43.35 10.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.9 t -99.77 146.32 26.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.513 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t -61.16 160.29 10.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.836 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -76.41 -58.92 3.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.4 -91.24 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 p -125.9 168.11 14.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 m -132.24 153.8 50.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.25 156.47 19.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 8' ' ' ILE . 4.9 mp -128.67 117.72 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 0.0 111.108 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.84 -53.48 49.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 57.68 43.09 22.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.3 p -106.2 142.66 35.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.825 ' O ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -77.59 -5.63 50.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.563 ' N ' HD13 ' A' ' 12' ' ' LEU . 28.2 p -57.65 -44.73 85.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.81 163.45 27.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' ASP . 1.2 pt? -62.62 169.45 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' LEU . 8.5 m-20 -35.66 -58.98 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.493 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 4.0 p90 -140.64 154.78 46.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.878 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.5 t70 -97.56 140.31 21.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.587 0.708 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 53.5 Cg_endo -69.8 -42.93 2.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.623 2.215 . . . . 0.0 112.356 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.501 ' HE1' HD21 ' A' ' 69' ' ' LEU . 5.1 m-85 -64.58 -43.32 94.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -64.15 -45.95 86.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 18' ' ' ASP . 94.6 t -57.25 -62.09 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.601 ' O ' HD11 ' A' ' 41' ' ' LEU . 82.9 mt -62.68 -43.28 99.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.97 45.87 2.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.414 ' HB ' ' CB ' ' A' ' 29' ' ' ALA . 0.8 OUTLIER -120.44 170.81 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 111.141 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.611 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 2.7 m -121.79 177.86 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -48.49 -58.93 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.0 t -46.89 -24.05 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 26' ' ' SER . . . -70.7 119.51 14.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 31' ' ' GLN . 2.7 m -112.19 173.99 6.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.654 ' HA ' HD12 ' A' ' 34' ' ' ILE . 6.6 tp-100 -34.32 -41.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.95 -64.56 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.168 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -56.93 -41.67 78.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 31' ' ' GLN . 38.4 mt -53.97 -66.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -44.29 -53.05 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -58.17 -37.6 75.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.27 -43.77 81.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -57.09 -60.5 3.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -40.29 -52.14 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -50.87 -57.04 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.601 HD11 ' O ' ' A' ' 23' ' ' LEU . 4.6 mt -56.67 -59.8 4.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.17 -39.73 30.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.076 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -64.68 -44.04 91.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -70.0 -57.83 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.45 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 74.5 m95 -79.22 11.54 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.3 t-80 -51.92 116.07 7.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.722 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.411 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.9 Cg_endo -69.78 -15.59 37.09 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.559 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -70.34 -38.54 74.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -97.2 -30.14 13.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.483 HD22 ' HB1' ' A' ' 55' ' ' ALA . 30.6 m-20 -69.77 140.4 53.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -112.95 -34.89 5.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.66 136.19 71.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.606 0.717 . . . . 0.0 110.88 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 104.57 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.639 2.226 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.35 -42.61 0.93 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.483 ' HB1' HD22 ' A' ' 50' ' ' ASN . . . -38.15 -43.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' ASP . 15.4 tt0 -55.27 -57.82 10.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.484 ' HA ' HD12 ' A' ' 60' ' ' ILE . 9.0 m-20 -34.79 -51.04 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HG2' ' CD2' ' A' ' 45' ' ' TRP . 11.6 tpt180 -66.12 -51.11 61.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.689 ' HA ' HD12 ' A' ' 62' ' ' ILE . 53.0 t80 -46.12 -45.1 16.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 57' ' ' ASP . 20.7 mt -56.39 -45.53 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -62.35 -46.95 86.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 59' ' ' PHE . 54.5 mt -50.58 -53.78 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.8 t -58.53 -46.58 86.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -57.52 -42.43 82.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.453 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -62.2 -56.72 15.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 9.5 t80 -58.01 -47.0 84.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.923 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -38.33 -46.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 78.2 mt -57.01 -53.32 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.501 HD21 ' HE1' ' A' ' 20' ' ' TYR . 8.9 mt -71.73 -62.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.554 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 4.4 t -34.38 -47.71 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -79.28 135.36 36.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -63.21 -59.28 4.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -47.22 -67.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -41.92 -60.58 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.3 ttp85 -43.17 -56.99 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 94.3 m -52.85 -53.38 49.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -54.51 -60.82 2.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.462 ' CE2' ' HG3' ' A' ' 19' ' ' PRO . 2.5 t80 -49.34 -58.46 5.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -53.29 -43.41 67.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.816 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -51.77 -50.18 61.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.8 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -72.62 -21.79 61.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 54.18 33.34 51.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.9 t -39.85 -58.28 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.892 0.377 . . . . 0.0 110.869 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.96 -158.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.82 3.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.3 t -55.09 -46.71 75.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -145.49 145.15 30.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -60.01 125.05 22.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.7 p 52.59 40.73 30.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.46 153.24 44.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 m -77.89 127.94 33.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 p -84.4 -30.96 24.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.79 86.39 1.87 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.439 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.405 HG23 ' H ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -60.54 170.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.683 HD23 ' H ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -91.11 130.62 36.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -122.89 114.17 20.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t 63.15 44.26 5.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 mp 54.39 41.75 31.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.9 t -54.03 -47.48 71.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.8 169.2 17.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.432 HD23 ' H ' ' A' ' 15' ' ' LEU . 1.1 pt? -90.06 173.08 8.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -38.0 -60.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 5.1 p90 -136.56 152.43 50.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.473 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.4 t70 -88.76 141.1 29.69 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.656 0.741 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 18' ' ' ASP . 54.1 Cg_endo -69.7 -34.32 15.02 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.691 2.26 . . . . 0.0 112.411 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.425 ' CE2' HD21 ' A' ' 69' ' ' LEU . 33.8 m-85 -74.19 -27.92 61.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -78.64 -42.4 28.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 18' ' ' ASP . 69.1 t -63.8 -60.64 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.484 HD13 HG23 ' A' ' 34' ' ' ILE . 41.6 mt -58.71 -32.01 68.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.932 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.98 43.01 4.54 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -135.11 174.13 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 0.0 111.074 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.528 ' HB3' HG22 ' A' ' 28' ' ' THR . 1.1 t -120.36 176.33 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -55.9 -30.47 61.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 26' ' ' SER . 9.0 t -68.14 -18.63 64.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.78 120.31 20.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.061 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.8 m -97.22 172.07 8.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -40.2 -34.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.19 -67.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -55.35 -43.67 75.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.484 HG23 HD13 ' A' ' 23' ' ' LEU . 41.2 mt -59.63 -66.31 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -39.3 -45.46 1.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -64.6 -36.77 85.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' ILE . . . -71.11 -37.71 72.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.406 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 2.8 t80 -64.61 -64.15 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 17.7 mttt -48.17 -55.08 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -49.3 -48.4 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.42 -58.88 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.55 -42.68 34.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -66.26 -43.17 87.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -66.32 -59.86 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -77.74 8.95 3.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -53.84 123.72 40.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.602 0.715 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.427 ' HD3' ' CG ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.74 -32.53 18.45 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -54.43 -31.83 56.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -103.16 -30.05 10.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -67.78 139.86 56.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -102.55 -32.1 10.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -60.19 125.44 81.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.708 . . . . 0.0 110.846 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 104.32 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.727 2.285 . . . . 0.0 112.36 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.66 -34.82 2.0 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.537 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -37.72 -41.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ASP . 32.7 tt0 -42.38 -55.87 3.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' GLU . 37.0 t0 -35.24 -58.97 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -58.62 -54.93 41.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.904 ' HA ' HD12 ' A' ' 62' ' ' ILE . 12.3 t80 -44.56 -40.92 6.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 75.3 mt -60.48 -47.95 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.439 ' NE2' ' CE2' ' A' ' 17' ' ' PHE . 11.0 mm100 -56.66 -45.72 81.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' A' ' 59' ' ' PHE . 35.1 mt -49.16 -42.3 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -70.38 -42.26 71.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -60.76 -47.94 84.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.68 -49.93 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -66.45 -48.61 69.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -39.25 -42.3 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 29.4 mt -63.51 -58.28 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 70' ' ' SER . 11.4 mt -66.67 -61.47 1.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' LEU . 8.0 t -34.5 -52.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -77.62 127.94 33.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.16 -56.1 26.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -41.78 -60.32 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -58.3 9.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.1 ttt-85 -40.95 -59.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 91.4 m -56.48 -54.68 42.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -38.16 -37.32 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.4 -59.89 2.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -52.71 -48.35 66.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.831 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -55.27 -32.25 62.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -69.14 -21.93 63.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.45 38.53 1.2 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.0 t -44.52 -52.34 8.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.948 0.404 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.18 168.75 32.67 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -42.43 3.35 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.251 . . . . 0.0 112.314 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.6 m -137.03 112.43 9.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.3 m -111.7 111.19 22.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.1 m -158.29 161.77 37.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.384 . . . . 0.0 110.843 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -161.79 165.48 27.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.62 153.62 21.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -150.25 107.15 3.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -64.1 -50.29 68.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.543 ' C ' HD12 ' A' ' 8' ' ' ILE . . . 86.9 140.65 6.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.543 HD12 ' C ' ' A' ' 7' ' ' GLY . 4.9 mp -140.26 146.94 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.853 0.359 . . . . 0.0 111.194 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 9' ' ' LEU . 1.1 pt? -128.66 164.41 22.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -97.79 122.15 40.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.1 p -96.73 -58.29 2.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 13' ' ' SER . 1.6 tt -80.01 139.21 37.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.404 ' N ' HD23 ' A' ' 12' ' ' LEU . 14.5 t -53.36 168.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -160.04 167.6 27.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.128 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -82.69 174.79 10.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -41.47 -58.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.542 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 1.2 p90 -148.16 137.94 22.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.534 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.6 t70 -97.15 141.15 22.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.717 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.624 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 54.0 Cg_endo -69.74 -37.56 9.05 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.255 . . . . 0.0 112.365 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -69.46 -42.08 75.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.06 -43.83 90.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 18' ' ' ASP . 71.5 t -63.29 -48.03 89.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.502 HD13 HG23 ' A' ' 34' ' ' ILE . 42.4 mt -71.0 -27.61 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.2 46.14 5.67 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.439 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.08 160.98 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -109.49 171.67 7.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -52.92 -30.82 36.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 t -64.13 -23.99 67.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.31 131.94 43.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 32' ' ' ALA . 59.6 p -106.3 170.7 7.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.515 ' HA ' HD12 ' A' ' 34' ' ' ILE . 3.7 mm-40 -40.51 -28.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -70.76 -61.43 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -55.74 -39.8 71.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 31' ' ' GLN . 28.9 mt -60.14 -58.72 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -50.31 -41.76 51.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -71.04 -34.55 71.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.44 77.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 39' ' ' LYS . 12.0 t80 -58.39 -64.29 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 38' ' ' TYR . 1.5 mptm? -34.35 -54.78 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.41 -57.32 10.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.436 HD23 ' CD1' ' A' ' 45' ' ' TRP . 4.9 mt -53.9 -46.1 71.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.22 86.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -70.13 -44.33 69.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -69.05 -57.65 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.591 ' CH2' ' NH1' ' A' ' 58' ' ' ARG . 80.7 m95 -79.79 10.75 3.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.433 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -51.98 107.29 0.8 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.57 0.7 . . . . 0.0 110.886 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.591 ' HD3' ' CD1' ' A' ' 59' ' ' PHE . 53.9 Cg_endo -69.72 -28.95 24.82 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -57.63 -28.83 64.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.96 -29.51 8.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -59.83 151.8 24.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -117.03 -31.19 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.13 134.6 95.87 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 110.852 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 110.84 2.67 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 138.04 -39.53 1.58 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 54' ' ' GLY . . . -36.92 -46.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 111.097 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -50.87 -47.79 60.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' HA ' HD12 ' A' ' 60' ' ' ILE . 36.3 t70 -42.77 -51.45 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.591 ' NH1' ' CH2' ' A' ' 45' ' ' TRP . 13.7 tpp85 -64.89 -48.29 74.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.591 ' CD1' ' HD3' ' A' ' 47' ' ' PRO . 37.8 t80 -46.39 -46.6 18.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 57' ' ' ASP . 30.5 mt -54.21 -50.85 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 64' ' ' LYS . 76.4 mt-30 -60.82 -59.27 5.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.9 mt -41.04 -43.39 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 t -74.68 -34.55 62.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLN . 56.8 mmtt -75.15 -17.02 60.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.624 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -88.69 -39.68 13.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.057 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -77.16 -42.43 37.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -45.77 -29.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 75' ' ' ARG . 82.8 mt -74.06 -48.38 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' SER . 11.2 mt -76.99 -58.02 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' LEU . 11.0 t -35.04 -50.88 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -78.45 123.36 26.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.421 ' CD ' ' HG3' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -58.39 -41.34 84.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.421 ' HG3' ' CD ' ' A' ' 72' ' ' GLU . 25.6 mt-10 -67.31 -56.55 9.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -53.72 -47.22 70.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' ILE . 33.2 ttp180 -52.45 -53.96 38.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.537 HG22 ' CD2' ' A' ' 80' ' ' HIS . 25.3 m -63.6 -40.93 98.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -60.07 -40.87 90.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -62.75 -41.87 99.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -70.75 -46.15 63.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.537 ' CD2' HG22 ' A' ' 76' ' ' THR . 4.6 m-70 -57.1 -31.46 65.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -68.24 -21.98 64.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 83' ' ' SER . . . 111.51 38.81 1.41 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' GLY . 21.1 p -35.82 -51.63 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.934 0.397 . . . . 0.0 110.875 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.12 -158.02 24.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.455 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 109.13 2.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.244 . . . . 0.0 112.362 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.6 p -125.13 138.75 54.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 55.7 m 60.97 40.97 14.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 m -98.71 169.95 9.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.915 0.388 . . . . 0.0 110.854 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -67.8 -48.58 65.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.819 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.14 83.95 0.81 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -85.35 171.3 11.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.915 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 m -141.92 111.13 6.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.41 52.51 0.17 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.545 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.3 mt -125.25 118.88 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 111.109 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.622 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.6 pt? -52.05 156.45 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -77.36 113.78 15.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' LEU . 3.7 t -95.31 -61.61 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.8 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' SER . 3.1 mp -36.4 -51.3 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 m -71.78 119.32 15.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.78 -39.14 15.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.456 ' H ' HD23 ' A' ' 15' ' ' LEU . 1.2 pt? -91.38 171.16 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -39.58 -53.64 2.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.459 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 6.0 p90 -138.63 144.2 39.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.838 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.6 t70 -89.65 138.35 28.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.851 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.463 ' HB2' HD21 ' A' ' 69' ' ' LEU . 53.9 Cg_endo -69.75 -37.36 9.29 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.651 2.234 . . . . 0.0 112.357 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -69.97 -38.05 75.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.7 mmm-85 -69.58 -47.28 64.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 18' ' ' ASP . 84.9 t -53.33 -57.21 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.502 ' CD1' HD12 ' A' ' 69' ' ' LEU . 70.9 mt -62.07 -27.96 69.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.19 45.31 5.94 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.468 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.36 176.83 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.01 178.28 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -63.66 -30.21 71.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.9 p -72.53 -14.5 61.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.16 126.36 25.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' ALA . 1.5 t -107.39 157.81 17.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' SER . 4.7 mm-40 -34.15 -34.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -70.35 -57.66 4.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -42.72 82.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.421 HG23 HD13 ' A' ' 23' ' ' LEU . 48.3 mt -56.44 -57.82 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -50.03 -42.32 49.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -68.38 -39.57 81.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.63 -36.09 80.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.434 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 1.7 t80 -65.57 -60.49 2.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 22.6 mttt -44.85 -40.63 6.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -57.86 -64.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mt -52.31 -38.85 59.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.62 83.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -70.09 -44.99 67.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -70.63 -54.98 9.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.585 ' CH2' ' CZ ' ' A' ' 58' ' ' ARG . 84.8 m95 -80.91 12.84 2.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 48' ' ' ASP . 1.9 t-80 -55.97 120.42 33.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.575 ' HD3' ' CD2' ' A' ' 59' ' ' PHE . 53.8 Cg_endo -69.74 -20.05 35.43 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.369 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.453 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 0.9 OUTLIER -70.57 -37.51 73.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -95.22 -30.06 14.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -71.37 125.76 27.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -99.26 -37.61 9.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.01 139.2 71.58 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 117.65 5.21 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.11 -40.98 1.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -37.18 -40.91 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.704 0.288 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 57' ' ' ASP . 32.4 tt0 -56.19 -54.84 40.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' GLU . 12.2 t70 -37.51 -57.9 0.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.585 ' CZ ' ' CH2' ' A' ' 45' ' ' TRP . 7.8 tpp85 -58.58 -47.84 82.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.811 ' HA ' HD12 ' A' ' 62' ' ' ILE . 10.7 t80 -48.67 -44.31 37.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.0 mt -54.44 -49.43 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -59.04 -47.87 83.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.811 HD12 ' HA ' ' A' ' 59' ' ' PHE . 20.9 mt -51.97 -51.23 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -63.1 -49.4 74.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -55.52 -41.77 73.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.417 ' HB2' HG11 ' A' ' 22' ' ' VAL . . . -59.33 -57.04 14.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.51 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 11.3 t80 -59.83 -45.69 91.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -39.48 -45.75 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 75' ' ' ARG . 52.2 mt -62.11 -47.37 93.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.502 HD12 ' CD1' ' A' ' 23' ' ' LEU . 11.4 mt -75.15 -65.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.51 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 3.1 t -37.97 -42.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -77.28 120.93 23.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.1 -40.63 81.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -63.8 -61.82 2.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -54.81 -47.68 73.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' ILE . 13.4 ttp180 -54.8 -57.48 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 56.2 m -58.43 -44.99 89.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -45.97 -49.51 15.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -54.3 -62.17 1.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.09 -55.42 20.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -52.31 -37.41 55.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -68.57 -22.12 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.93 34.31 61.49 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m -58.54 -50.46 73.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.62 145.45 16.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 86' ' ' SER . 53.3 Cg_endo -69.74 -4.53 14.2 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.737 2.291 . . . . 0.0 112.348 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 85' ' ' PRO . 99.4 p -34.79 -49.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.4 t -55.43 -60.57 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -77.03 -43.23 35.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -95.52 -54.97 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.23 93.92 0.47 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 m -64.08 128.72 37.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.83 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 m -92.51 144.31 25.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.47 96.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 8' ' ' ILE . 5.1 mp -109.74 142.17 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 pp -138.25 166.07 25.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -102.44 146.5 28.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -87.27 151.85 22.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.575 HD23 ' C ' ' A' ' 12' ' ' LEU . 5.4 tt -154.83 112.58 3.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.408 ' N ' HD23 ' A' ' 12' ' ' LEU . 70.8 m -133.43 132.9 41.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.63 -35.54 57.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.066 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.447 HD11 ' O ' ' A' ' 17' ' ' PHE . 1.4 pt? -118.3 169.36 9.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -39.31 -57.72 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.518 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 3.0 p90 -149.07 146.31 27.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.8 t70 -86.92 141.22 33.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 0.0 110.848 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.572 ' HB2' HD11 ' A' ' 69' ' ' LEU . 53.4 Cg_endo -69.79 -29.49 23.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -77.94 -39.06 43.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mmt85 -67.21 -46.19 74.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.831 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 18' ' ' ASP . 76.3 t -61.03 -58.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.557 ' O ' HD11 ' A' ' 41' ' ' LEU . 46.1 mt -62.83 -38.05 89.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.03 43.98 3.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.19 156.52 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.813 0.34 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 p -99.17 175.22 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -62.42 -29.17 70.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.6 p -82.78 -13.07 56.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.03 119.49 14.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' ASP . 2.7 m -101.49 170.78 7.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' SER . 0.9 OUTLIER -34.86 -57.45 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.56 -43.1 11.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' SER . 6.4 m-20 -71.84 -42.97 66.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 37' ' ' ALA . 58.0 mt -60.0 -61.1 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -39.91 -36.99 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -77.0 -37.11 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 34' ' ' ILE . . . -68.6 -32.92 73.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.401 ' CD2' ' N ' ' A' ' 39' ' ' LYS . 2.6 t80 -73.88 -63.06 1.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' N ' ' CD2' ' A' ' 38' ' ' TYR . 15.9 mttm -47.23 -43.09 21.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -58.13 -61.43 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.557 HD11 ' O ' ' A' ' 23' ' ' LEU . 9.5 mt -55.16 -40.49 70.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.95 78.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -74.19 -44.25 54.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.09 -54.83 7.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.461 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 72.1 m95 -76.79 7.57 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.586 ' CD2' ' HD2' ' A' ' 47' ' ' PRO . 1.7 t-160 -54.66 131.27 64.72 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.589 0.709 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.586 ' HD2' ' CD2' ' A' ' 46' ' ' HIS . 54.2 Cg_endo -69.7 -20.88 34.54 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.735 2.29 . . . . 0.0 112.364 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.419 ' HB3' ' ND1' ' A' ' 46' ' ' HIS . 1.0 OUTLIER -59.72 -46.27 89.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -90.67 -30.05 17.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.477 ' ND2' ' HB1' ' A' ' 55' ' ' ALA . 34.0 m-20 -74.27 118.06 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -97.04 -36.47 10.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.96 140.54 61.12 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.599 0.714 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 116.04 4.38 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.651 2.234 . . . . 0.0 112.311 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' GLU . . . 131.86 -44.44 1.2 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.477 ' HB1' ' ND2' ' A' ' 50' ' ' ASN . . . -37.52 -31.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.737 0.303 . . . . 0.0 111.103 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' GLY . 42.8 tt0 -65.09 -55.42 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -35.91 -59.3 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 11.2 tpt180 -54.03 -53.86 47.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.554 ' HA ' HD12 ' A' ' 62' ' ' ILE . 38.9 t80 -46.43 -49.75 17.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.409 HG22 ' HD2' ' A' ' 64' ' ' LYS . 74.7 mt -49.62 -45.58 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -66.44 -57.93 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 59' ' ' PHE . 19.0 mt -41.3 -42.2 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -70.47 -41.74 72.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HD2' HG22 ' A' ' 60' ' ' ILE . 32.2 mtpt -62.57 -45.03 94.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.44 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -54.95 -46.95 75.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' A' ' 70' ' ' SER . 11.1 t80 -66.37 -49.14 67.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -38.82 -40.36 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.407 ' N ' ' HZ3' ' A' ' 74' ' ' LYS . 57.1 mt -68.31 -55.02 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.186 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' A' ' 19' ' ' PRO . 23.9 mt -69.64 -61.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.528 ' HB3' ' CE1' ' A' ' 66' ' ' TYR . 86.5 p -35.86 -38.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -80.68 144.6 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -79.86 -43.57 22.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.62 -53.27 57.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.407 ' HZ3' ' N ' ' A' ' 68' ' ' ILE . 38.6 mtpt -59.22 -61.72 2.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -43.43 -54.46 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 80.0 m -60.86 -51.77 67.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.429 ' OD1' ' C ' ' A' ' 77' ' ' ASN . 1.3 t30 -46.48 -45.49 18.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -77.96 -66.46 0.84 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.01 -59.43 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -49.82 -39.42 38.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -69.15 -21.85 63.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 83' ' ' SER . . . 54.35 31.08 50.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 82' ' ' GLY . 1.4 p -37.74 -37.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.831 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 37.68 -149.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 166.99 25.7 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 81.0 p -54.99 -52.38 63.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.5 p -102.0 127.09 49.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.526 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -123.18 135.49 54.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.844 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -121.24 158.87 27.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.54 45.68 6.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -77.63 -56.58 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.918 0.39 . . . . 0.0 110.88 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 m -61.77 -64.46 0.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.53 166.84 42.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.0 mm -118.3 131.27 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -50.52 -55.18 17.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 54.44 44.56 28.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.681 ' C ' HD12 ' A' ' 12' ' ' LEU . 91.1 p -84.62 104.98 15.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.681 HD12 ' C ' ' A' ' 11' ' ' SER . 9.3 mp -132.83 177.72 7.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.7 t -85.8 158.04 20.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.01 167.8 21.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.471 ' H ' HD23 ' A' ' 15' ' ' LEU . 2.1 pt? -85.23 177.97 7.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -44.94 -56.95 4.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.514 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 2.6 p90 -137.57 143.22 41.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.757 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -98.7 144.09 27.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -46.87 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -59.8 -44.36 94.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -65.89 -45.39 82.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 18' ' ' ASP . 47.6 t -55.71 -51.62 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.429 ' O ' HD11 ' A' ' 41' ' ' LEU . 80.7 mt -71.67 -29.64 64.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.39 41.0 5.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -123.69 162.36 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 111.101 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -111.56 175.15 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.806 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.4 ptt-85 -50.74 -45.04 58.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 t -52.87 -29.06 25.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.45 130.25 42.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 32' ' ' ALA . 29.7 m -115.55 172.23 7.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 30' ' ' SER . 17.6 mm100 -36.5 -32.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' SER . . . -68.34 -65.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -56.28 -40.39 74.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.8 mt -59.35 -60.06 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -52.07 -46.49 65.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -67.2 -29.74 69.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.71 -41.91 61.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' LYS . 10.1 t80 -59.47 -60.94 3.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' TYR . 1.5 mptm? -36.63 -58.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -46.76 -55.24 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.429 HD11 ' O ' ' A' ' 23' ' ' LEU . 9.1 mt -57.53 -46.29 84.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.33 78.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -72.11 -42.78 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -69.83 -57.43 5.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -83.03 16.38 2.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 48' ' ' ASP . 7.2 t60 -54.59 126.22 55.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.561 0.696 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.582 ' HD3' ' CD1' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.74 -28.06 25.83 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.584 ' HB3' ' CD2' ' A' ' 46' ' ' HIS . 34.4 t70 -65.74 -34.49 78.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -93.66 -30.05 15.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.475 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 35.9 m-20 -80.11 110.49 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.44 ' HE2' ' C ' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -88.48 -24.24 23.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.87 141.14 98.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.575 0.703 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 118.03 5.44 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.378 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.07 -45.5 1.14 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 50' ' ' ASN . . . -37.26 -41.34 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.757 0.313 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -55.55 -55.02 36.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.518 ' HA ' HD12 ' A' ' 60' ' ' ILE . 3.9 t70 -40.88 -61.32 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -53.7 -47.75 70.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.582 ' CD1' ' HD3' ' A' ' 47' ' ' PRO . 31.9 t80 -50.82 -43.07 58.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 57' ' ' ASP . 53.1 mt -56.88 -40.21 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -64.5 -44.63 90.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 59' ' ' PHE . 22.3 mt -58.78 -47.22 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.0 t -66.69 -45.57 78.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -63.79 -33.77 76.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.421 ' HB2' HG11 ' A' ' 22' ' ' VAL . . . -68.61 -55.44 11.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 9.8 t80 -61.87 -43.26 99.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -39.76 -47.26 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.7 mt -57.43 -57.47 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 70' ' ' SER . 9.9 mt -65.67 -63.25 1.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.558 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 9.4 t -34.8 -42.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.481 ' CB ' ' HD3' ' A' ' 74' ' ' LYS . 4.6 m120 -79.49 131.65 36.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -59.49 -59.23 5.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -50.52 -65.66 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.481 ' HD3' ' CB ' ' A' ' 71' ' ' ASN . 6.9 mptt -47.37 -54.65 10.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.9 ttp85 -42.44 -54.19 3.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 83.1 m -65.77 -49.37 68.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -47.46 -46.68 27.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.509 ' CD2' ' HB2' ' A' ' 83' ' ' SER . 17.7 t80 -45.91 -58.29 3.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -53.27 -52.99 57.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -56.59 -32.84 65.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -72.76 -19.68 61.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 83' ' ' SER . . . 110.62 39.89 1.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.509 ' HB2' ' CD2' ' A' ' 78' ' ' TYR . 14.2 t -34.62 -52.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.952 0.406 . . . . 0.0 110.854 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -138.93 -112.92 1.09 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 88.6 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.707 2.271 . . . . 0.0 112.338 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.5 t -123.53 142.01 51.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.1 m 60.48 42.28 14.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 p -40.08 -56.68 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.373 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -143.81 145.39 32.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.09 141.76 8.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -154.56 127.88 8.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -114.04 150.6 33.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.23 168.3 16.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.537 HG22 ' O ' ' A' ' 10' ' ' GLN . 5.2 mp -98.47 105.25 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.87 -44.14 96.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.537 ' O ' HG22 ' A' ' 8' ' ' ILE . 3.1 mp0 -74.47 164.42 26.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 m -145.71 146.0 31.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -49.0 -55.34 12.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.6 p -152.41 171.17 18.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.69 174.42 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.484 HD11 ' O ' ' A' ' 17' ' ' PHE . 1.8 pt? -98.4 177.97 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -49.42 -62.03 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 3.8 p90 -141.64 144.2 34.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.715 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.7 m-20 -92.76 142.08 25.19 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.628 ' HA ' ' HB1' ' A' ' 65' ' ' ALA . 54.0 Cg_endo -69.72 -42.71 3.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.638 2.226 . . . . 0.0 112.374 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -62.86 -40.06 96.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 12.0 mtp-105 -69.85 -46.34 65.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 18' ' ' ASP . 93.7 t -61.11 -57.09 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.687 HD12 ' CD1' ' A' ' 69' ' ' LEU . 83.3 mt -62.43 -38.81 91.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.96 44.17 3.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.401 ' HB ' ' CB ' ' A' ' 29' ' ' ALA . 3.6 m -127.66 159.86 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 111.098 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 m -115.36 174.83 5.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -44.33 -52.59 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.1 p -45.68 -34.53 3.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.401 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . . . -65.98 124.25 22.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 p -106.54 174.2 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.796 ' HA ' HD12 ' A' ' 34' ' ' ILE . 7.2 tp60 -38.43 -42.99 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.2 -61.53 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.14 -46.82 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.796 HD12 ' HA ' ' A' ' 31' ' ' GLN . 28.0 mt -49.42 -54.62 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.203 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.419 ' CG ' ' HE3' ' A' ' 39' ' ' LYS . 11.9 ttpp -56.31 -45.04 80.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.3 mmmt -62.16 -36.66 82.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.64 -44.21 67.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 39' ' ' LYS . 18.6 t80 -57.1 -65.0 0.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 38' ' ' TYR . 2.3 mptm? -34.45 -62.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -43.16 -52.98 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 mt -57.95 -39.07 77.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.02 84.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.1 -47.25 62.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.78 -50.58 62.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.561 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 90.2 m95 -88.44 11.95 15.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -51.99 110.56 1.93 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 -31.62 20.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.238 . . . . 0.0 112.378 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.38 -30.56 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -106.16 -27.88 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -62.43 139.71 58.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -104.7 -27.32 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.35 133.63 95.72 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 104.41 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 143.27 -32.21 1.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' GLY . . . -37.12 -40.79 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.751 0.31 . . . . 0.0 111.077 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' ASP . 10.4 tt0 -53.33 -64.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' GLU . 21.5 t0 -36.85 -62.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.561 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 4.9 tpt180 -43.63 -52.77 6.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.761 ' HA ' HD12 ' A' ' 62' ' ' ILE . 11.1 t80 -57.26 -43.32 82.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 mm -47.41 -39.12 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.195 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -74.37 -47.16 35.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.761 HD12 ' HA ' ' A' ' 59' ' ' PHE . 24.1 mt -53.01 -46.71 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t -66.81 -45.33 78.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -59.04 -43.95 91.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.628 ' HB1' ' HA ' ' A' ' 19' ' ' PRO . . . -61.57 -52.51 64.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.462 ' CE1' ' HB2' ' A' ' 70' ' ' SER . 12.9 t80 -61.07 -42.09 97.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -40.01 -47.29 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.8 -55.83 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.687 ' CD1' HD12 ' A' ' 23' ' ' LEU . 3.6 mt -63.75 -65.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.462 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 7.7 t -37.4 -39.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -75.13 125.28 28.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -61.34 -45.38 94.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.65 -61.1 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -51.26 -49.29 61.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.0 ttp85 -53.61 -61.94 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 36.4 m -52.84 -50.26 64.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -45.77 -47.24 15.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -51.94 -62.62 1.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -50.4 -53.0 32.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -52.81 -36.45 58.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -70.29 -22.03 62.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.94 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 57.11 35.91 72.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.3 m -73.16 132.83 43.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.943 0.401 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.14 -157.18 27.3 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -4.93 15.04 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.731 2.288 . . . . 0.0 112.305 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 84.1 p -105.28 123.54 48.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.1 t -110.07 143.87 39.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 p -41.97 -53.14 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 m -78.91 -58.5 3.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.44 64.83 3.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 t -137.93 116.89 12.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 m -55.93 -54.21 47.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.815 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.9 83.79 1.76 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -87.1 148.55 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.875 0.369 . . . . 0.0 111.17 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.816 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -138.22 167.63 21.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -119.41 149.26 42.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 t -118.58 147.24 43.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.787 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -114.75 -1.2 13.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.6 p -44.61 -52.85 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.27 -48.8 80.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -168.05 177.98 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -43.75 -68.1 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 4.2 p90 -120.68 155.06 34.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.583 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.2 m-20 -87.86 142.29 32.24 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.609 0.719 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -43.13 2.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.32 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -62.15 -38.42 88.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -69.0 -44.47 72.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 18' ' ' ASP . 91.5 t -66.9 -47.47 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.78 HD12 HD12 ' A' ' 69' ' ' LEU . 9.7 mt -74.48 -34.13 63.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.35 58.21 2.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.523 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.17 157.68 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.125 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 p -95.72 178.06 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 mtm-85 -66.78 -28.97 68.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.4 p -84.98 -10.14 57.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.07 112.56 9.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' ASP . 51.9 p -97.51 171.97 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.703 ' HA ' HD12 ' A' ' 34' ' ' ILE . 45.6 mm-40 -34.38 -57.34 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.18 -41.95 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' SER . 1.2 m-20 -75.21 -37.88 60.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 31' ' ' GLN . 30.4 mt -62.47 -60.24 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -37.4 -52.93 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -59.7 -38.08 80.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' ILE . . . -67.14 -42.69 83.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -65.21 -55.74 16.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -54.15 -52.31 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.9 tttp -49.9 -42.77 48.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mt -71.37 -46.08 61.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.945 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.31 -34.86 71.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -71.59 -40.69 69.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -70.17 -58.76 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.56 ' CE3' ' HG2' ' A' ' 58' ' ' ARG . 83.5 m95 -80.19 11.69 3.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.409 ' ND1' ' HD2' ' A' ' 47' ' ' PRO . 0.5 OUTLIER -53.09 115.26 7.16 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.574 0.702 . . . . 0.0 110.853 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.409 ' HD2' ' ND1' ' A' ' 46' ' ' HIS . 53.9 Cg_endo -69.74 -17.13 37.81 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.2 -39.47 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -96.82 -29.83 13.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -73.9 134.18 43.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -104.99 -32.58 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.78 142.22 44.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 0.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 117.85 5.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' ALA . . . 127.13 -36.08 2.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' GLY . . . -37.07 -39.27 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 0.0 111.089 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ASP . 22.3 tt0 -61.1 -64.36 0.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' GLU . 3.2 t0 -37.55 -60.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.56 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 9.1 tpt85 -51.26 -46.37 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.48 ' HA ' HD12 ' A' ' 62' ' ' ILE . 28.3 t80 -60.62 -33.55 72.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.569 HG22 ' NZ ' ' A' ' 64' ' ' LYS . 5.2 mm -57.42 -41.49 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 64' ' ' LYS . 27.4 mt-30 -70.78 -60.22 2.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 59' ' ' PHE . 23.2 mt -38.47 -40.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -73.83 -39.57 63.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.569 ' NZ ' HG22 ' A' ' 60' ' ' ILE . 25.4 mtmm -70.91 -15.81 62.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.92 -27.73 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' A' ' 70' ' ' SER . 10.0 t80 -85.34 -46.49 10.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.412 ' CD ' ' HA ' ' A' ' 64' ' ' LYS . 13.3 pt-20 -40.49 -33.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 40.8 mt -72.82 -50.64 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.78 HD12 HD12 ' A' ' 23' ' ' LEU . 15.8 mt -76.38 -59.04 2.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.946 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.535 ' HB2' ' CE2' ' A' ' 66' ' ' TYR . 32.3 t -34.56 -51.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -70.68 132.77 45.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -65.57 -39.39 91.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -66.54 -68.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -46.29 -44.93 16.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -56.96 -58.01 10.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 60.3 m -56.1 -41.66 75.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -54.55 -31.14 55.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.77 -56.99 7.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.97 -36.89 82.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.848 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -69.82 -17.06 63.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -76.32 -11.85 59.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.76 33.75 2.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.8 t -54.13 121.44 8.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.55 137.55 9.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 121.21 7.9 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.631 2.221 . . . . 0.0 112.341 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.6 t -138.31 147.95 44.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 t -123.92 147.43 47.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 -179.986 . . . . . . . . 0 0 . 1 stop_ save_