data_1x5k_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 1x5k _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' ' ' LEU . . . . . 0.446 HD21 ' N ' ' A' ' 16' ' ' LEU . 2.5 mm? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.89 0.376 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.402 HG13 ' CB ' ' A' ' 102' ' ' LYS . 12.5 m -47.29 153.46 0.93 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.614 0.721 . . . . 0.0 111.151 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 93.56 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.752 2.301 . . . . 0.0 112.374 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.3 t -83.8 30.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.4 p -136.85 141.99 37.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 154.59 67.61 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.375 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.84 26.25 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.665 2.244 . . . . 0.0 112.346 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -119.96 169.94 9.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 58.26 45.69 16.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.1 t -79.73 107.16 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.2 p -130.39 145.36 51.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.522 HG12 ' CD2' ' A' ' 113' ' ' PHE . 55.8 t -132.3 105.02 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.5 m -106.49 176.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.5 m -114.87 140.42 48.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 16.1 tptt -55.86 151.48 11.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.486 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 27.6 tt0 -84.58 101.18 11.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.87 -31.41 8.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -109.03 103.19 51.52 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.562 0.696 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -37.02 9.59 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.307 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -69.67 -8.77 50.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.466 HG22 ' N ' ' A' ' 37' ' ' ILE . 86.6 m -113.2 141.18 47.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.466 ' N ' HG22 ' A' ' 36' ' ' THR . 7.4 pt -144.04 153.47 15.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.403 HD13 ' N ' ' A' ' 38' ' ' ILE . 4.6 mp -115.39 133.89 60.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.403 ' CG1' HD12 ' A' ' 96' ' ' ILE . 99.2 t -117.74 116.17 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -105.48 157.71 17.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.467 ' CE2' ' HA ' ' A' ' 79' ' ' LEU . 36.4 p90 -163.04 175.53 11.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -140.6 155.28 69.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.575 0.702 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 144.92 55.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.633 2.222 . . . . 0.0 112.37 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 152.99 69.68 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.357 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -64.81 -45.4 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' ALA . 9.2 mt-10 -45.9 -58.51 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 34.66 52.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' ALA . 90.4 m-20 -34.43 -34.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -135.04 -131.31 3.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.78 -176.25 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.429 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 48.7 mm -129.15 148.0 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.5 p -130.65 -30.41 1.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.152 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.46 -176.26 38.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.54 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.429 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 55.4 m-85 -141.96 161.7 37.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.842 0.353 . . . . 0.0 110.936 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 93.6 mt -136.34 135.4 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.471 HG21 ' N ' ' A' ' 57' ' ' TYR . 87.8 mt -117.89 143.02 29.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.471 ' N ' HG21 ' A' ' 56' ' ' ILE . 55.5 m-85 -118.76 137.63 53.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.612 ' CE2' ' CG1' ' A' ' 70' ' ' VAL . 3.7 p90 -149.88 140.5 22.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.0 t -163.58 140.06 6.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.1 p -48.5 -33.86 10.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -95.89 161.94 13.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.554 ' HB ' ' CE1' ' A' ' 93' ' ' TYR . 7.1 p -116.1 -38.43 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -77.68 -5.25 49.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.32 153.89 29.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 67' ' ' HIS . 23.2 mt-10 -77.89 135.53 37.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 65' ' ' GLU . 9.1 tp -34.92 -31.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' GLU . 1.3 m170 -53.03 -50.99 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -65.53 -35.71 81.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.57 ' CZ3' ' HE2' ' A' ' 95' ' ' LYS . 36.9 m95 -54.68 134.02 47.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.612 ' CG1' ' CE2' ' A' ' 58' ' ' TYR . 8.7 p -76.11 150.64 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 79.5 mt -107.49 112.51 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -107.12 84.18 1.58 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.686 0.755 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 130.33 19.09 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.673 2.249 . . . . 0.0 112.306 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 99.0 t -100.36 136.52 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.41 ' N ' HG13 ' A' ' 74' ' ' VAL . 35.9 m -100.92 163.4 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.18 32.72 84.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.0 p30 39.03 43.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.326 . . . . 0.0 110.905 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.462 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 1.1 tpt180 -73.77 149.01 42.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.467 ' HA ' ' CE2' ' A' ' 41' ' ' TRP . 35.9 mt -104.74 5.52 33.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 t -137.45 149.69 47.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -143.61 148.07 35.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.828 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.452 ' CD ' ' N ' ' A' ' 82' ' ' GLN . 12.2 mp0 -119.56 133.97 55.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.8 mt -124.27 114.97 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -108.1 175.11 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 61.44 48.13 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.3 mt -106.54 179.26 4.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.6 m -95.37 148.47 22.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.154 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.403 ' HB3' ' CE ' ' A' ' 117' ' ' LYS . 53.6 mt -97.98 168.76 10.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.1 t70 39.21 47.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.8 m -145.42 129.91 8.9 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.539 0.685 . . . . 0.0 111.164 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 108.5 2.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -110.08 130.82 55.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.554 ' CE1' ' HB ' ' A' ' 62' ' ' VAL . 5.7 m-85 -101.24 124.68 47.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.463 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 56.9 m-85 -113.85 151.73 31.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.57 ' HE2' ' CZ3' ' A' ' 69' ' ' TRP . 44.5 mtmt -139.93 140.31 36.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 97' ' ' GLN . 9.1 mt -120.23 141.86 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.464 ' NE2' ' HB3' ' A' ' 104' ' ' MET . 1.8 pt20 -138.46 170.3 16.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -125.84 126.18 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -124.66 143.91 50.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.6 p30 -126.67 -177.33 3.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.3 t -38.38 -41.07 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.804 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.402 ' CB ' HG13 ' A' ' 17' ' ' VAL . 21.8 mmmt -68.06 -73.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.54 -149.57 6.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.464 ' HB3' ' NE2' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -108.43 172.07 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 110.905 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -123.51 -160.56 10.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 143.32 50.59 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 8.1 mtt -85.97 149.02 25.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.4 p -76.63 169.43 18.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -57.05 147.34 24.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.04 114.47 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.68 105.6 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.075 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -82.33 112.22 19.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.522 ' CD2' HG12 ' A' ' 27' ' ' VAL . 30.2 t80 -127.81 109.29 11.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.2 ttp-105 -70.9 117.68 12.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.4 p -55.74 148.18 37.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.624 0.726 . . . . 0.0 111.089 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.403 ' CE ' ' HB3' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -142.78 147.46 35.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 179.81 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 16' ' ' LEU . 2.8 mm? . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.882 0.372 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -51.22 153.42 3.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.665 0.745 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 94.82 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 p -76.65 7.82 4.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.4 t -116.13 137.69 23.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.67 0.747 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.28 31.5 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.366 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 164.83 33.15 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.288 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -126.87 179.75 5.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 t0 49.92 36.7 12.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.9 t -68.18 110.24 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.6 p -138.42 148.06 44.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.9 t -131.23 111.18 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.9 m -110.17 164.67 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.4 p -106.8 153.35 22.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 16.8 tptm -84.85 150.51 24.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 32.8 tt0 -86.06 -61.8 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -45.73 -30.28 3.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.449 ' CE ' ' HB2' ' A' ' 35' ' ' LYS . 1.1 tmtm? -143.53 130.22 10.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.55 0.691 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -51.61 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.403 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.449 ' HB2' ' CE ' ' A' ' 33' ' ' LYS . 37.4 mttp -59.08 -19.13 41.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.5 m -90.09 129.9 36.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.077 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.6 pt -132.51 162.14 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.1 mp -128.03 120.49 53.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 65.4 t -99.0 117.57 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -103.28 151.3 22.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.562 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 23.8 p90 -168.29 177.79 5.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -144.16 157.64 56.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.595 0.712 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 153.2 69.17 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.383 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 146.06 59.25 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.4 t -63.91 -23.08 67.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -97.3 58.71 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 48' ' ' ASN . . . -81.66 60.49 4.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 47' ' ' ALA . 20.1 m-20 -34.24 -36.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -125.1 -164.65 11.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -101.93 132.39 47.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.725 0.298 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.5 mm -82.82 137.28 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.157 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 p -109.92 -31.07 7.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.471 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -170.34 -179.81 42.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 53' ' ' GLY . 2.5 m-85 -141.09 161.43 37.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.821 0.344 . . . . 0.0 110.957 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.449 ' HB ' ' CZ ' ' A' ' 99' ' ' ARG . 46.3 mt -138.38 117.45 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.562 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 26.3 mt -95.66 147.32 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -129.81 118.85 22.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.569 ' CE2' HG11 ' A' ' 70' ' ' VAL . 12.2 p90 -120.47 148.48 43.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.514 ' HB2' ' CD2' ' A' ' 69' ' ' TRP . 1.7 m -171.94 146.8 2.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.1 p -70.5 -14.87 62.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -100.55 120.63 40.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.464 HG12 ' ND2' ' A' ' 63' ' ' ASN . 9.9 p -87.05 2.13 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.464 ' ND2' HG12 ' A' ' 62' ' ' VAL . 46.2 m-80 -121.37 -17.85 7.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.99 140.68 4.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 67' ' ' HIS . 6.2 mp0 -42.71 129.26 4.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.1 tp -42.82 -31.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 65' ' ' GLU . 2.0 p80 -83.58 -29.87 27.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' GLU . 8.8 m-20 -59.11 -27.11 65.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.514 ' CD2' ' HB2' ' A' ' 59' ' ' SER . 16.9 m95 -62.7 155.14 27.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.569 HG11 ' CE2' ' A' ' 58' ' ' TYR . 13.5 p -74.51 147.0 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.432 ' C ' ' OE1' ' A' ' 72' ' ' GLU . 83.9 mt -99.02 120.19 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.432 ' OE1' ' C ' ' A' ' 71' ' ' ILE . 4.7 mp0 -124.57 85.12 56.63 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.671 0.748 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 148.59 65.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.315 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 60.4 t -119.97 119.0 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.3 m -79.3 164.11 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 77' ' ' ASN . . . 51.17 35.03 33.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' GLY . 0.3 OUTLIER 34.7 54.7 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.463 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 4.3 tpt180 -75.54 123.09 24.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.9 mt -75.25 -4.02 36.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 t -137.87 138.47 39.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -126.1 158.54 35.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -120.21 97.59 5.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.5 mt -98.77 120.02 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -123.91 -175.78 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 62.18 50.32 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 30.9 mt -118.57 174.19 6.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.0 m -86.49 146.72 26.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.6 mt -96.93 170.88 8.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 21.1 t0 40.48 43.87 1.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 93.3 m -143.45 132.97 11.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.642 0.734 . . . . 0.0 111.133 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 108.55 2.1 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -109.79 145.16 37.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -115.11 141.67 47.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -128.18 153.88 46.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -138.67 131.36 29.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.1 mt -114.54 144.66 21.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 33.4 tt0 -153.56 138.25 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.61 144.33 29.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.449 ' CZ ' ' HB ' ' A' ' 55' ' ' ILE . 11.6 ptp180 -149.52 157.99 43.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -125.42 -175.98 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.7 t -49.28 -32.42 10.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -71.27 -68.5 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.57 -169.76 32.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.439 ' CG ' ' HD3' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -103.01 167.57 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 110.883 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.496 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -113.09 -155.82 12.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.86 49.07 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.467 ' SD ' ' NE2' ' A' ' 97' ' ' GLN . 11.4 mmt -82.77 153.13 25.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 85.4 p -84.87 162.16 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 110' ' ' ALA . 7.6 pt-20 -68.62 124.53 23.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 109' ' ' GLU . . . -35.07 144.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.0 t -117.76 102.0 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -73.35 99.87 3.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -115.45 113.53 23.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -70.99 131.75 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.2 p -70.01 149.61 96.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.593 0.711 . . . . 0.0 111.131 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -163.72 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -142.1 147.02 36.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.832 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.456 HG12 ' CB ' ' A' ' 102' ' ' LYS . 20.4 m -52.05 152.99 5.05 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.629 0.728 . . . . 0.0 111.109 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 100.79 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.8 t -85.46 26.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 m -136.27 134.63 20.14 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.27 38.87 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.32 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.457 ' HG3' ' CG2' ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.77 174.39 9.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.71 -176.54 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 39.8 54.01 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 t -87.76 109.73 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.9 p -128.42 145.41 51.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 43.2 t -130.02 109.43 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.5 m -115.9 166.63 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 p -103.5 155.87 18.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -91.68 143.56 26.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -73.46 -65.92 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -37.92 -37.92 0.47 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.441 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HE2' ' CG ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -143.28 133.54 12.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.562 0.696 . . . . 0.0 110.886 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -51.09 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.419 ' CG ' ' HE2' ' A' ' 33' ' ' LYS . 24.6 mttm -52.88 -35.9 58.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.9 m -73.22 130.97 41.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.462 HD11 ' CE2' ' A' ' 94' ' ' PHE . 6.8 pt -137.17 153.64 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.458 ' N ' HD13 ' A' ' 38' ' ' ILE . 3.5 mp -112.85 134.3 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.1 t -121.94 108.97 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -99.67 156.33 17.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.557 ' CZ3' HD12 ' A' ' 56' ' ' ILE . 35.7 p90 -165.83 179.02 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -141.99 153.64 64.14 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.642 0.734 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 147.51 62.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.242 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 132.49 23.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.2 m -48.63 -31.21 6.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -85.69 73.27 10.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -85.79 59.03 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' ALA . 72.5 m-80 -34.67 -32.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -141.06 171.9 23.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 100' ' ' ASN . 18.3 tttt -72.29 132.59 44.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.754 0.312 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mm -81.14 140.54 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.8 p -119.46 -14.55 9.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.9 173.85 38.99 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.443 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -131.15 158.48 40.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 67.4 mt -135.52 131.01 50.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.152 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.557 HD12 ' CZ3' ' A' ' 41' ' ' TRP . 91.0 mt -109.76 140.04 30.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -126.17 115.1 19.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.516 ' CZ ' HG12 ' A' ' 70' ' ' VAL . 2.4 p90 -125.5 147.09 49.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.483 ' HB2' ' CD2' ' A' ' 69' ' ' TRP . 2.1 m -169.86 152.76 4.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.1 p -64.9 -40.27 94.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.118 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -80.28 137.07 36.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.0 p -100.84 1.37 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -116.21 -24.18 8.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.61 139.94 3.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . 2.8 mp0 -47.78 130.09 14.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.2 tp -38.11 -41.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.566 ' CD2' ' HB3' ' A' ' 65' ' ' GLU . 13.2 p80 -65.33 -40.64 93.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.53 ' N ' ' ND1' ' A' ' 67' ' ' HIS . 28.1 t70 -52.3 -29.99 26.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.483 ' CD2' ' HB2' ' A' ' 59' ' ' SER . 12.2 m95 -64.66 160.71 19.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.516 HG12 ' CZ ' ' A' ' 58' ' ' TYR . 4.3 p -79.35 144.12 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 80.3 mt -100.51 106.11 18.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -107.87 84.85 2.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 150.4 68.3 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.371 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.5 t -119.36 121.38 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.8 m -76.32 155.72 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.28 169.42 0.13 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -73.21 66.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -106.55 154.39 20.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.503 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 4.3 mt -124.61 8.04 8.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 t -131.46 138.25 48.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -132.89 148.03 52.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -112.07 97.81 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.415 HG21 ' CD1' ' A' ' 86' ' ' LEU . 72.4 mt -89.58 135.13 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -126.56 -179.85 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 62.14 44.7 7.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.415 ' CD1' HG21 ' A' ' 83' ' ' ILE . 35.2 mt -109.75 153.38 24.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.43 146.47 34.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 mt -97.7 168.69 10.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.2 t70 47.66 39.34 9.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -145.73 129.75 8.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.528 0.68 . . . . 0.0 111.154 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 111.59 2.85 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -107.37 150.29 26.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -114.77 125.1 53.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.462 ' CE2' HD11 ' A' ' 37' ' ' ILE . 56.2 m-85 -113.25 150.93 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -135.99 139.06 42.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.457 ' CG2' ' HG3' ' A' ' 22' ' ' PRO . 10.6 mt -122.49 141.99 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.475 ' NE2' ' HB3' ' A' ' 104' ' ' MET . 0.0 OUTLIER -156.98 146.34 20.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.465 ' N ' ' HG2' ' A' ' 97' ' ' GLN . . . -98.74 163.22 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -148.77 143.08 26.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 7.8 p-10 -127.85 -177.69 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.2 m -37.58 -40.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.456 ' CB ' HG12 ' A' ' 17' ' ' VAL . 7.1 mmpt? -65.29 -75.23 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -171.68 -154.76 10.19 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.475 ' HB3' ' NE2' ' A' ' 97' ' ' GLN . 33.5 mtm -95.69 165.73 12.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -109.31 -168.01 20.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 138.42 37.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.357 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 13.7 mmt -66.07 131.85 47.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.3 p -65.22 163.79 14.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.14 120.61 9.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -43.36 125.28 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.8 t -99.6 113.7 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -82.58 110.81 18.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -128.27 116.04 19.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -73.8 127.84 33.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.6 p -63.9 149.49 93.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.615 0.722 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.47 146.34 36.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.781 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 16' ' ' LEU . 6.1 mp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.854 0.359 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.466 HG13 ' CB ' ' A' ' 102' ' ' LYS . 10.5 m -45.86 154.01 0.6 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 111.125 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.456 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 54.3 Cg_endo -69.75 106.59 1.69 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.1 p -85.12 22.44 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.9 m -135.5 139.37 31.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.687 0.756 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 168.03 22.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 178.09 4.93 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -137.3 -175.94 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 45.46 33.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.4 t -67.59 114.48 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.1 p -140.45 145.58 37.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.193 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 t -129.55 118.21 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -122.93 166.64 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.8 p -116.61 129.71 56.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 tptp -47.53 152.23 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -88.79 -25.4 22.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -98.25 1.03 58.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -159.18 113.41 1.57 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.537 0.684 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -28.1 25.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.257 . . . . 0.0 112.342 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -76.53 -21.65 55.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.5 m -91.52 146.37 23.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.595 ' CD1' ' CZ ' ' A' ' 94' ' ' PHE . 19.3 pt -146.12 150.92 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.78 138.93 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.0 t -123.09 111.56 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -103.1 152.95 20.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.55 ' CZ3' HD13 ' A' ' 56' ' ' ILE . 37.8 p90 -165.43 -175.64 3.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.44 ' NE2' ' HD2' ' A' ' 43' ' ' PRO . 4.5 mm100 -140.03 159.97 62.22 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.547 0.689 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.44 ' HD2' ' NE2' ' A' ' 42' ' ' GLN . 53.6 Cg_endo -69.83 159.73 52.28 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.645 2.23 . . . . 0.0 112.308 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 149.33 67.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.282 . . . . 0.0 112.357 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.2 t -67.11 -45.76 76.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -57.51 -63.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 37.71 51.11 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -41.5 -25.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -124.02 -154.38 8.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.517 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.75 126.0 54.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.9 mm -69.38 146.61 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.7 p -124.51 -34.57 2.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.33 176.08 39.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.441 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.564 ' CE1' HD22 ' A' ' 79' ' ' LEU . 78.9 m-85 -134.83 158.3 44.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.8 mt -135.22 129.18 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.55 HD13 ' CZ3' ' A' ' 41' ' ' TRP . 89.5 mt -108.43 142.46 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.407 ' N ' HG22 ' A' ' 56' ' ' ILE . 19.4 m-85 -127.53 125.63 40.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.543 ' CE2' HG11 ' A' ' 70' ' ' VAL . 1.9 p90 -140.16 156.1 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -172.25 173.89 4.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.2 p -87.92 32.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -161.11 154.33 21.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.437 ' HB ' ' CE2' ' A' ' 93' ' ' TYR . 14.5 p -107.81 -23.93 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -97.27 -17.58 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.4 ' HB3' ' CG ' ' A' ' 68' ' ' ASP . . . -48.18 147.38 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 67' ' ' HIS . 10.6 mp0 -67.15 133.99 50.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.4 tp -39.16 -26.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.3 OUTLIER -55.15 -53.06 60.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.402 ' OD1' ' CD1' ' A' ' 69' ' ' TRP . 0.6 OUTLIER -62.21 -37.48 85.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.402 ' CD1' ' OD1' ' A' ' 68' ' ' ASP . 40.6 m95 -53.07 121.46 7.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.543 HG11 ' CE2' ' A' ' 58' ' ' TYR . 7.0 p -66.09 153.38 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 84.0 mt -106.54 114.02 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -115.31 86.51 14.65 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.672 0.749 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 142.28 47.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.5 t -108.13 106.36 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 m -62.25 161.61 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.64 178.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -80.92 57.13 2.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -102.23 139.94 37.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.564 HD22 ' CE1' ' A' ' 54' ' ' TYR . 8.9 mt -110.92 9.98 22.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -129.76 138.81 51.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -128.41 148.72 50.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -119.41 96.52 5.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 42.3 mt -92.47 139.65 17.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -128.76 -179.96 5.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 58.59 51.59 7.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 33.2 mt -109.77 146.37 35.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -73.01 131.8 42.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' ASP . 11.1 mt -81.87 177.76 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' LEU . 23.1 t0 36.27 45.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 97.0 m -148.7 136.24 10.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 111.134 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 123.3 9.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.722 2.281 . . . . 0.0 112.309 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -123.83 126.63 46.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.437 ' CE2' ' HB ' ' A' ' 62' ' ' VAL . 5.5 m-85 -103.05 120.66 41.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.595 ' CZ ' ' CD1' ' A' ' 37' ' ' ILE . 51.4 m-85 -105.68 155.14 19.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -144.11 135.49 25.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 97' ' ' GLN . 56.3 mt -108.61 147.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 2.6 tp-100 -145.85 132.39 19.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -103.1 123.75 47.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -123.64 148.73 46.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -127.18 -175.71 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.4 t -44.79 -21.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.466 ' CB ' HG13 ' A' ' 17' ' ' VAL . 49.1 mmtt -85.23 -75.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.09 -150.3 6.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 46.1 mtm -97.32 167.51 10.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.424 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -116.57 -154.72 10.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.456 ' CD ' ' O ' ' A' ' 18' ' ' PRO . 53.7 Cg_endo -69.73 142.0 46.87 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 36.4 mtt -84.18 135.94 34.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 91.7 p -71.23 170.95 11.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.49 126.13 30.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -37.92 120.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.045 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.1 t -96.28 105.05 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -81.63 109.82 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -125.68 119.06 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm-85 -75.75 131.79 40.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.9 p -73.53 148.77 88.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 111.131 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -140.49 157.86 44.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.84 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 2.3 mm? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.4 m -52.25 153.04 5.33 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.729 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 96.89 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.8 p -79.78 6.26 11.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -118.97 141.25 29.86 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.699 0.762 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 169.56 18.59 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.732 2.288 . . . . 0.0 112.335 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -166.82 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -150.29 -179.64 7.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 44.65 48.6 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.0 t -77.21 116.08 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.3 p -136.68 142.02 43.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.6 t -131.33 106.84 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.1 m -105.72 -179.21 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -118.55 157.54 27.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 14.7 tptp -92.25 150.12 21.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 27.1 tt0 -90.55 -57.9 2.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.87 -16.3 3.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.05 119.64 2.76 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.552 0.691 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -35.55 12.47 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -77.72 10.32 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.5 m -119.48 144.58 46.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.495 HD13 ' CE2' ' A' ' 94' ' ' PHE . 9.9 pt -142.3 155.04 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 mp -118.94 124.24 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.1 t -108.11 125.41 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -116.51 161.27 19.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.55 ' CZ3' HD13 ' A' ' 56' ' ' ILE . 45.2 p90 -170.55 179.82 3.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -141.63 153.66 65.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 155.14 66.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.639 2.226 . . . . 0.0 112.31 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 140.13 42.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.242 . . . . 0.0 112.373 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -60.3 -32.46 71.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' ALA . 17.7 mt-10 -58.62 -57.19 14.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 35.87 52.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' ALA . 57.5 m-20 -35.65 -31.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -132.73 -104.14 0.89 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -145.5 176.05 9.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.494 HG23 ' CZ ' ' A' ' 54' ' ' TYR . 41.6 mm -129.8 146.32 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.3 p -127.27 -28.91 2.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.521 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -165.46 -175.67 36.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.521 ' CD1' ' C ' ' A' ' 53' ' ' GLY . 13.5 m-85 -146.86 175.38 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 110.921 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.454 ' CD1' ' SD ' ' A' ' 104' ' ' MET . 22.1 mt -140.89 134.68 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.55 HD13 ' CZ3' ' A' ' 41' ' ' TRP . 79.3 mt -113.83 130.78 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 3.5 m-85 -117.28 116.01 26.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.547 ' CE2' ' CG1' ' A' ' 70' ' ' VAL . 12.5 p90 -127.41 145.19 50.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.467 ' HB3' ' CD2' ' A' ' 69' ' ' TRP . 3.5 p -158.59 168.38 27.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.2 p -89.13 -14.8 35.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.423 ' O ' ' CZ2' ' A' ' 69' ' ' TRP . 0.5 OUTLIER -107.13 136.14 47.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.4 p -93.26 -10.49 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -109.62 -17.56 13.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.406 ' HB1' ' CB ' ' A' ' 61' ' ' ASP . . . -54.54 137.31 43.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -51.85 139.93 20.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.1 tp -54.29 -18.74 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 67' ' ' HIS . 1.4 p-80 -78.69 -25.56 44.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -78.46 -29.28 46.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.467 ' CD2' ' HB3' ' A' ' 59' ' ' SER . 11.2 m0 -61.73 159.65 13.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.547 ' CG1' ' CE2' ' A' ' 58' ' ' TYR . 4.5 p -82.87 153.83 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 98.8 mt -108.49 116.04 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -114.09 84.32 8.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 136.32 32.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.641 2.227 . . . . 0.0 112.395 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.8 t -104.33 121.01 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.2 m -77.67 169.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.82 -176.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -83.71 41.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -84.81 138.47 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.524 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 4.8 mt -111.01 10.71 22.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.5 t -136.04 146.04 46.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -136.77 164.86 27.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -129.18 109.75 11.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.537 HD13 ' CD2' ' A' ' 58' ' ' TYR . 84.9 mt -103.82 123.39 57.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -115.27 -176.23 2.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 62.51 38.84 12.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.4 mt -101.65 161.75 13.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.28 140.0 29.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.171 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 mt -84.88 172.41 11.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.1 t0 39.75 40.52 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.7 m -140.09 129.02 13.35 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 111.147 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 106.1 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -104.58 136.0 44.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -106.8 127.86 53.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.495 ' CE2' HD13 ' A' ' 37' ' ' ILE . 26.3 m-85 -116.84 154.72 30.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -141.02 135.58 31.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.459 HG22 ' N ' ' A' ' 97' ' ' GLN . 9.8 mt -115.13 143.12 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.459 ' N ' HG22 ' A' ' 96' ' ' ILE . 22.4 tt0 -146.78 149.22 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.64 150.26 23.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -152.32 149.27 28.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.8 p30 -127.11 175.95 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -47.18 -27.49 1.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -73.43 -71.98 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -159.12 -153.51 6.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.454 ' SD ' ' CD1' ' A' ' 55' ' ' ILE . 46.5 mtm -115.78 158.58 22.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.62 -160.89 22.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.407 ' C ' ' OE1' ' A' ' 97' ' ' GLN . 53.4 Cg_endo -69.72 155.34 66.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.738 2.292 . . . . 0.0 112.321 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 7.1 mtt -98.39 145.49 26.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 t -77.51 167.86 20.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.7 pm0 -67.46 151.65 47.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.35 108.97 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.9 t -82.54 102.05 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -79.79 130.23 35.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 114' ' ' ARG . 32.5 t80 -147.36 127.28 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.429 ' O ' ' CE1' ' A' ' 113' ' ' PHE . 54.7 ttm-85 -80.86 146.17 30.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.2 p -88.76 147.26 38.78 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 111.177 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -163.82 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -139.12 151.68 46.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.828 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.3 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.839 0.352 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 m -47.23 152.03 1.15 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 101.53 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.73 2.286 . . . . 0.0 112.329 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 p -81.88 12.37 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -130.4 139.1 34.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 166.81 26.4 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 166.16 28.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.238 . . . . 0.0 112.381 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -116.65 -177.26 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 40.42 48.65 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.5 t -80.24 111.03 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.7 p -139.08 151.77 47.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.13 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.9 t -130.37 107.01 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.8 m -104.11 177.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 m -116.72 150.95 37.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 17.2 tptp -85.63 149.55 25.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 38.1 tt0 -83.67 -67.14 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -39.04 -27.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -147.75 132.31 8.8 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.567 0.699 . . . . 0.0 110.918 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -51.99 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -59.08 -24.31 62.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.3 m -80.31 135.86 36.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.1 pt -136.99 168.47 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mp -135.13 116.94 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.8 t -94.84 113.76 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.47 139.58 34.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.542 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 30.9 p90 -158.84 171.77 19.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -135.67 160.72 66.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 154.5 67.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 153.29 68.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.31 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.7 t -62.55 -49.77 73.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' ALA . 3.3 mm-40 -46.0 -55.59 6.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 35.85 51.81 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -76.18 52.2 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 156.15 153.92 6.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.511 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -64.53 119.78 11.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.746 0.308 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.0 mm -72.42 131.28 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.7 p -101.26 -39.8 7.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -171.03 178.61 43.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.452 ' CE1' HD22 ' A' ' 79' ' ' LEU . 38.3 m-85 -131.78 157.21 44.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.38 . . . . 0.0 110.881 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.2 mt -123.22 146.16 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.419 HD12 ' CZ3' ' A' ' 41' ' ' TRP . 82.4 mt -126.39 132.02 70.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -119.52 128.7 54.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 2.5 p90 -142.29 137.3 30.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 t -158.34 140.22 13.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.0 p -49.26 -37.95 25.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.77 150.44 25.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.523 ' HB ' ' CE1' ' A' ' 93' ' ' TYR . 13.1 p -108.96 -21.94 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -108.24 29.22 7.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.45 135.57 41.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -48.05 134.21 14.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 67' ' ' HIS . 6.3 tp -45.55 -23.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.455 ' N ' HG22 ' A' ' 66' ' ' ILE . 3.3 m170 -57.94 -44.34 86.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.98 -36.41 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -54.24 133.9 44.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.502 HG13 ' CZ ' ' A' ' 58' ' ' TYR . 7.6 p -70.77 152.65 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 95.2 mt -105.44 113.04 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.435 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 1.0 OUTLIER -108.54 84.59 2.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.642 0.734 . . . . 0.0 110.886 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 134.06 27.07 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.386 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 43.4 t -100.52 138.1 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.6 m -105.61 170.64 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.52 35.53 66.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.448 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 77' ' ' ASN . 16.6 t30 40.45 36.94 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.453 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 29.8 ttt180 -73.66 144.12 45.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.542 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 82.0 mt -100.05 7.23 44.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.92 156.98 47.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -144.56 145.97 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -116.76 106.97 14.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 71.8 mt -101.12 131.15 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -119.5 -179.57 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 62.05 35.91 15.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.3 mt -97.17 156.3 16.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.9 m -76.18 147.25 38.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 89' ' ' ASP . 28.0 mt -98.57 171.04 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 88' ' ' LEU . 35.9 t70 37.54 38.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.9 m -138.86 135.13 17.43 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.608 0.718 . . . . 0.0 111.153 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 123.98 10.64 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.249 . . . . 0.0 112.384 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -128.46 136.97 51.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.523 ' CE1' ' HB ' ' A' ' 62' ' ' VAL . 16.3 m-85 -106.62 126.6 52.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -111.37 158.77 18.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -147.76 145.59 28.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 97' ' ' GLN . 6.5 mt -126.16 147.48 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 33.1 tt0 -152.41 149.84 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.406 ' N ' ' HG2' ' A' ' 97' ' ' GLN . . . -105.64 152.09 23.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -151.47 137.17 17.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 101' ' ' SER . 34.3 p30 -123.34 -177.66 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 100' ' ' ASN . 67.4 m -36.34 -45.44 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -62.9 -70.38 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -174.02 -151.41 8.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.438 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.87 173.95 6.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.48 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -119.21 -154.66 9.61 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 154.28 67.81 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 8.8 mmt -94.12 133.68 37.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.2 p -74.09 163.44 27.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -56.42 165.26 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.16 113.11 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.96 106.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -78.93 102.38 8.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -117.2 110.97 18.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -71.07 122.19 19.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.2 p -58.38 145.12 76.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.52 0.676 . . . . 0.0 111.182 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -163.87 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.707 2.272 . . . . 0.0 112.303 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.37 148.71 47.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.839 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.887 0.375 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.3 m -58.36 150.76 52.56 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.67 0.748 . . . . 0.0 111.14 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 101.73 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -86.59 22.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.3 p -138.5 143.48 38.54 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.671 0.748 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 161.41 46.03 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 179.32 3.73 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -130.93 178.27 6.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t70 53.32 34.33 17.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 67.6 t -73.13 117.36 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.6 p -136.97 146.66 45.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.401 HG13 ' CG ' ' A' ' 113' ' ' PHE . 60.0 t -130.08 109.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.187 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 m -119.01 170.13 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.9 m -94.76 167.3 11.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -91.55 150.11 21.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -80.38 107.25 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.39 -46.97 1.08 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -114.46 123.24 32.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.55 0.69 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -46.35 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.724 2.283 . . . . 0.0 112.378 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -55.23 -43.39 74.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 m -71.56 129.93 39.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.554 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 8.0 pt -135.71 159.89 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.445 ' N ' HD13 ' A' ' 38' ' ' ILE . 5.0 mp -121.6 128.62 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.3 t -115.92 102.15 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -92.39 155.87 17.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.407 ' CD2' HG22 ' A' ' 96' ' ' ILE . 21.8 p90 -166.66 -176.6 3.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -147.78 159.09 41.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 149.55 66.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 149.4 66.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.282 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' GLU . 6.5 t -53.55 -53.01 57.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ALA . 64.8 mm-40 -36.04 -53.99 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 34.21 52.31 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -75.82 48.92 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 155.25 171.84 22.28 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -85.23 113.23 21.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.413 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 35.1 mm -67.17 140.66 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.9 p -111.1 -36.81 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -164.0 -164.17 18.57 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.545 ' N ' ' NH2' ' A' ' 99' ' ' ARG . 10.8 m-85 -154.34 143.75 21.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.962 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.509 HG21 ' CZ ' ' A' ' 57' ' ' TYR . 59.1 mt -112.16 137.52 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.9 mt -113.83 137.73 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.509 ' CZ ' HG21 ' A' ' 55' ' ' ILE . 9.0 m-85 -125.68 125.78 43.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.545 ' CE2' HG13 ' A' ' 70' ' ' VAL . 3.8 p90 -140.44 143.51 35.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -163.56 156.52 18.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.9 p -78.02 0.95 22.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -119.93 119.93 34.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.804 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.16 -32.21 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -90.12 14.15 13.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.26 143.32 28.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.07 134.77 56.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.0 tp -42.89 -35.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.646 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.5 p-80 -62.58 -40.38 96.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.646 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 9.9 t0 -62.31 -33.4 74.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -59.31 134.31 56.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.545 HG13 ' CE2' ' A' ' 58' ' ' TYR . 3.3 p -59.89 149.46 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.9 mt -106.08 116.01 48.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.19 85.4 18.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 140.24 41.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 75' ' ' VAL . 96.2 t -109.66 137.58 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.467 ' N ' HG12 ' A' ' 74' ' ' VAL . 35.5 m -104.84 162.89 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.83 34.98 91.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 37.19 54.6 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.464 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 2.2 tpt180 -85.17 137.76 32.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 90.9 mt -93.46 4.11 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.6 t -138.88 148.25 43.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -140.61 140.02 35.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -104.88 132.04 51.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.429 HG21 ' CD1' ' A' ' 86' ' ' LEU . 71.9 mt -131.79 126.13 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -126.09 -177.28 3.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 64.15 49.94 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.429 ' CD1' HG21 ' A' ' 83' ' ' ILE . 55.2 mt -119.05 171.27 8.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.22 154.53 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.7 mt -104.66 162.78 12.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.8 t70 47.93 45.14 18.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.9 m -143.06 133.18 12.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.6 0.714 . . . . 0.0 111.115 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 101.15 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -103.01 138.91 39.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.426 ' CE2' ' OE1' ' A' ' 112' ' ' GLN . 15.5 m-85 -109.07 136.96 47.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.554 ' CZ ' HD12 ' A' ' 37' ' ' ILE . 60.9 m-85 -122.13 160.13 25.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -145.75 149.9 35.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.407 HG22 ' CD2' ' A' ' 41' ' ' TRP . 11.0 mt -129.35 142.63 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 34.5 tt0 -139.08 148.04 42.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -116.12 140.72 49.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.545 ' NH2' ' N ' ' A' ' 54' ' ' TYR . 0.9 OUTLIER -138.52 150.48 46.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.872 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 102' ' ' LYS . 35.7 p30 -120.17 174.84 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.7 t -41.19 -24.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.8 OUTLIER -79.96 -71.93 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -165.07 -166.07 23.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.44 167.52 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.479 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -107.89 -158.19 20.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -164.15 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.249 . . . . 0.0 112.381 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.4 ' HE2' ' CZ ' ' A' ' 57' ' ' TYR . 20.7 mmt -117.2 139.67 50.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 109' ' ' GLU . 5.1 t -76.38 177.2 7.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.434 ' N ' ' OG ' ' A' ' 108' ' ' SER . 17.1 mt-10 -76.15 136.36 39.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.9 113.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.7 t -87.27 102.9 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.426 ' OE1' ' CE2' ' A' ' 93' ' ' TYR . 22.6 tt0 -77.67 120.95 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.401 ' CG ' HG13 ' A' ' 27' ' ' VAL . 48.0 t80 -134.99 118.86 17.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -71.7 125.93 28.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 18.6 p -67.47 151.46 97.14 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.715 . . . . 0.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.268 . . . . 0.0 112.37 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.52 151.13 41.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 m -56.48 147.22 50.6 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.569 0.7 . . . . 0.0 111.185 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 108.2 2.02 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -88.51 15.76 7.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.2 t -122.04 136.27 26.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.694 0.759 . . . . 0.0 110.838 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 166.69 26.72 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.714 2.276 . . . . 0.0 112.365 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 164.74 33.35 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.27 . . . . 0.0 112.348 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HZ1' ' N ' ' A' ' 45' ' ' SER . 10.0 mtmm -127.02 177.38 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 51.91 42.45 30.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -72.55 107.6 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 p -127.88 139.61 52.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.5 t -129.99 113.25 25.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.77 168.81 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 t -108.89 144.68 36.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.448 ' HE2' ' CG2' ' A' ' 36' ' ' THR . 0.3 OUTLIER -55.34 151.85 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 27.3 tt0 -87.26 81.33 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 133.41 -25.05 3.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.11 111.26 26.79 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.531 0.681 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.429 ' CB ' ' HG2' ' A' ' 116' ' ' PRO . 53.9 Cg_endo -69.76 -40.88 4.8 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.64 2.227 . . . . 0.0 112.381 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -60.2 -16.34 32.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.448 ' CG2' ' HE2' ' A' ' 30' ' ' LYS . 76.6 m -106.29 136.12 46.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.495 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 23.0 pt -142.18 144.3 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.414 HD11 ' N ' ' A' ' 38' ' ' ILE . 4.4 mp -107.63 140.95 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.8 t -125.23 105.17 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -99.56 121.64 41.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.554 ' CE3' ' O ' ' A' ' 79' ' ' LEU . 42.2 p90 -129.65 179.12 6.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -134.44 154.75 79.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.606 0.717 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 153.23 69.44 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.721 2.28 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 150.05 67.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.427 ' N ' ' HZ1' ' A' ' 23' ' ' LYS . 7.0 t -63.16 -37.27 86.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.811 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -89.9 65.94 6.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -57.45 -45.07 85.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.08 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 40.21 25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . 167.33 155.36 9.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 tttp -72.55 110.45 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.781 0.324 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.3 mm -66.15 110.34 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.449 HG21 ' N ' ' A' ' 101' ' ' SER . 46.0 p -75.07 -41.91 57.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.627 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -167.23 -154.04 8.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.627 ' CD1' ' C ' ' A' ' 53' ' ' GLY . 2.3 m-85 -156.78 158.85 37.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.838 0.352 . . . . 0.0 110.925 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.8 mt -128.78 143.19 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 62.1 mt -117.22 135.67 56.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -123.91 130.83 53.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.556 ' CE1' HG11 ' A' ' 70' ' ' VAL . 13.0 p90 -147.71 157.53 43.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 t -167.65 167.73 13.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.6 p -84.6 32.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 62' ' ' VAL . 27.2 t0 -169.88 152.21 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.487 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 5.6 p -103.09 -7.4 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -100.25 -16.66 17.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.27 142.11 13.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.9 OUTLIER -60.24 131.71 51.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' GLU . 10.7 tp -37.21 -34.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.693 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.1 p-80 -66.15 -45.07 82.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.693 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 18.9 m-20 -56.21 -30.76 62.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.518 ' CZ3' ' HE2' ' A' ' 95' ' ' LYS . 22.3 m95 -62.11 136.06 57.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.556 HG11 ' CE1' ' A' ' 58' ' ' TYR . 11.8 p -68.85 151.25 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.47 ' N ' HG23 ' A' ' 70' ' ' VAL . 65.3 mt -108.92 113.09 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.441 ' OE1' ' C ' ' A' ' 71' ' ' ILE . 0.0 OUTLIER -107.51 85.46 2.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.89 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 121.41 8.1 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.359 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.5 t -95.16 125.28 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.1 m -78.07 164.63 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.53 -177.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -86.41 42.38 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -84.74 135.07 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.554 ' O ' ' CE3' ' A' ' 41' ' ' TRP . 4.7 mt -105.47 8.81 33.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -126.81 139.67 52.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -134.2 142.66 47.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -114.98 105.54 13.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.5 mt -100.17 132.46 45.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -123.78 -175.28 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 58.71 31.46 21.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.8 mt -92.09 159.59 15.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.1 m -77.79 167.52 21.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.1 mt -121.12 168.21 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.6 t70 47.14 33.99 2.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.812 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 94.0 m -142.59 131.43 11.77 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 121.46 8.16 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.368 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -119.42 130.84 55.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -101.3 125.09 47.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.495 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 65.1 m-85 -109.73 153.09 24.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.518 ' HE2' ' CZ3' ' A' ' 69' ' ' TRP . 25.8 mtmt -137.54 139.31 40.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 97' ' ' GLN . 12.9 mt -118.85 140.36 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.409 ' N ' HG22 ' A' ' 96' ' ' ILE . 20.8 tt0 -145.11 142.01 29.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -104.21 141.75 35.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.441 ' CB ' ' HG2' ' A' ' 104' ' ' MET . 19.0 ptt180 -144.91 148.63 34.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.71 -177.63 3.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.449 ' N ' HG21 ' A' ' 52' ' ' THR . 4.9 t -45.14 -42.04 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -60.26 -71.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -161.11 -152.16 6.51 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.441 ' HG2' ' CB ' ' A' ' 99' ' ' ARG . 33.1 mtm -112.04 159.63 18.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.29 -167.01 22.95 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.3 47.59 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.732 2.288 . . . . 0.0 112.311 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -77.25 154.2 33.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 109' ' ' GLU . 9.3 t -82.75 175.73 9.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.416 ' N ' ' OG ' ' A' ' 108' ' ' SER . 31.4 mm-40 -74.67 145.62 43.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.02 117.24 3.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.3 t -95.1 108.29 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -77.73 121.69 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -138.95 110.56 7.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -71.69 135.7 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.8 p -76.68 143.41 71.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.564 0.697 . . . . 0.0 111.114 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.429 ' HG2' ' CB ' ' A' ' 34' ' ' PRO . 53.6 Cg_endo -69.76 -163.66 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.408 ' HA ' ' CE ' ' A' ' 117' ' ' LYS . 5.1 mmpt? -136.89 163.42 30.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.849 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.869 0.366 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -52.24 153.86 4.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.686 0.755 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.449 ' HD3' ' ND2' ' A' ' 100' ' ' ASN . 53.3 Cg_endo -69.81 94.95 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.4 t -86.89 25.14 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.6 t -128.12 139.77 36.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.655 0.74 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 159.85 51.9 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.644 2.229 . . . . 0.0 112.384 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 171.53 14.23 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.401 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -125.59 -178.78 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 47.16 36.16 4.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.9 t -69.51 110.01 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.6 p -138.59 150.02 45.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.8 t -132.68 111.86 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 m -104.96 -177.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 t -126.79 153.38 45.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -94.62 109.8 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -58.12 -39.29 78.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.33 -18.26 74.98 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.404 ' CE ' ' HB2' ' A' ' 35' ' ' LYS . 12.7 tptm -146.72 106.41 4.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.596 0.712 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -23.5 30.6 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' HB2' ' CE ' ' A' ' 33' ' ' LYS . 62.7 mttm -87.35 3.28 47.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 37' ' ' ILE . 24.1 m -127.47 153.6 46.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.565 HD11 ' CE2' ' A' ' 94' ' ' PHE . 8.5 pt -143.31 164.14 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.436 ' N ' HD13 ' A' ' 38' ' ' ILE . 4.6 mp -125.97 122.85 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.9 t -103.83 118.68 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.3 OUTLIER -107.08 146.7 30.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.546 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 28.7 p90 -163.23 -176.32 4.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -147.96 161.4 34.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.566 0.698 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.36 66.99 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.713 2.275 . . . . 0.0 112.345 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 158.3 57.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.395 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.9 t -69.78 -37.24 76.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.66 72.87 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -85.39 53.78 2.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -38.03 -28.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -138.5 147.5 19.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 tttm -53.4 138.45 33.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.412 HG22 ' CZ ' ' A' ' 54' ' ' TYR . 24.0 mm -90.38 144.2 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.2 p -120.91 -30.1 4.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.8 -166.01 31.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.412 ' CZ ' HG22 ' A' ' 51' ' ' ILE . 64.7 m-85 -148.34 163.69 36.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.515 HG23 ' CZ ' ' A' ' 57' ' ' TYR . 28.2 mt -126.86 131.08 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 57' ' ' TYR . 73.9 mt -109.42 140.12 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.515 ' CZ ' HG23 ' A' ' 55' ' ' ILE . 10.8 m-85 -126.29 123.5 38.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.534 ' C ' ' CD1' ' A' ' 58' ' ' TYR . 1.8 p90 -139.08 150.3 45.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.6 t -170.65 164.0 8.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 78.9 p -87.65 45.86 1.32 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -172.61 128.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.4 p -86.04 -36.55 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -90.28 25.21 2.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.89 132.36 39.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.463 ' HB2' ' CE1' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -47.66 131.68 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tp -43.81 -26.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.668 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.4 p-80 -65.56 -41.58 92.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.668 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 5.8 m-20 -64.94 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.449 ' CH2' ' HE3' ' A' ' 95' ' ' LYS . 16.2 m95 -62.86 143.01 58.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.518 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 5.2 p -76.34 153.03 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 78.7 mt -109.31 106.96 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -108.3 87.36 4.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 140.63 42.97 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.7 t -105.62 119.41 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -76.46 169.45 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.88 -171.39 0.13 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -91.54 43.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -85.78 141.51 29.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 13.8 mt -112.51 8.48 19.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.4 t -132.26 136.98 47.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -125.58 147.17 49.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -117.39 105.12 11.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.5 mt -100.9 125.23 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -114.0 -175.07 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.422 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER 60.5 44.7 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.4 mt -111.47 140.41 46.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.517 ' CG2' ' HB ' ' A' ' 90' ' ' THR . 0.6 OUTLIER -61.76 175.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 89' ' ' ASP . 14.4 mt -111.05 165.58 11.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 88' ' ' LEU . 28.2 t0 35.82 54.97 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.517 ' HB ' ' CG2' ' A' ' 87' ' ' THR . 19.1 m -141.31 129.44 12.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.582 0.706 . . . . 0.0 111.154 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 109.32 2.28 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.743 2.295 . . . . 0.0 112.343 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.17 144.09 36.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -120.01 116.29 25.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.962 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 37' ' ' ILE . 9.8 m-85 -107.61 156.91 18.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.449 ' HE3' ' CH2' ' A' ' 69' ' ' TRP . 12.9 mttp -141.49 128.11 20.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 97' ' ' GLN . 30.7 mt -105.31 146.04 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.454 ' N ' HG22 ' A' ' 96' ' ' ILE . 19.7 tt0 -146.3 141.51 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -103.33 132.05 49.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.435 ' CB ' ' HG2' ' A' ' 104' ' ' MET . 6.9 ptt180 -139.96 149.51 43.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.449 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 18.0 p30 -119.09 -177.6 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -54.77 -20.98 9.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -79.2 -72.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.75 -163.99 11.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.49 ' SD ' ' CD1' ' A' ' 55' ' ' ILE . 66.4 mtm -112.87 145.14 41.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.429 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -90.57 -170.7 43.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 165.27 31.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.375 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 28.4 mtt -98.46 141.62 31.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.3 p -76.62 168.64 19.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -57.54 149.02 22.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.38 114.2 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 75.6 t -83.17 109.28 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -88.56 117.12 27.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -140.2 122.58 16.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -78.81 144.79 34.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.3 p -79.12 152.17 76.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.581 0.705 . . . . 0.0 111.151 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -163.95 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.334 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -136.59 161.05 36.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.859 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.445 HD23 ' N ' ' A' ' 16' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.4 m -53.68 152.71 9.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 111.118 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 96.5 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -81.41 14.32 2.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 p -122.48 139.44 30.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 164.58 34.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.266 . . . . 0.0 112.341 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -172.2 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.625 2.217 . . . . 0.0 112.364 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -148.45 168.82 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 60.46 39.38 18.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.7 t -74.8 109.92 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.6 p -130.74 147.72 52.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.519 HG11 ' CG ' ' A' ' 113' ' ' PHE . 60.8 t -130.07 107.3 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.0 m -109.19 163.85 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.6 p -90.3 171.4 9.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 13.4 tptm -97.78 145.48 26.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 11.7 tp10 -80.81 107.74 13.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 117.4 -42.1 1.93 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HE2' ' CD ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -125.93 125.08 24.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 110.9 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -52.12 0.35 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.746 2.297 . . . . 0.0 112.325 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.461 ' CD ' ' HE2' ' A' ' 33' ' ' LYS . 51.4 mttt -46.73 -38.5 10.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.9 m -78.7 128.88 34.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.8 pt -137.13 147.73 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.9 mp -105.89 121.66 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.2 t -102.25 102.97 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.87 153.49 17.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.538 ' CE3' ' O ' ' A' ' 79' ' ' LEU . 19.1 p90 -169.34 179.95 3.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -143.65 154.52 59.62 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.613 0.72 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 160.24 50.43 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.273 . . . . 0.0 112.34 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 141.96 46.66 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.716 2.278 . . . . 0.0 112.328 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -57.1 -34.35 68.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -87.47 72.43 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -80.2 60.02 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ALA . 92.4 m-20 -35.31 -33.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -128.58 -126.97 2.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -138.81 120.16 14.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.32 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.473 HG22 ' CE2' ' A' ' 54' ' ' TYR . 11.1 mm -78.15 119.42 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.03 2.63 5.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.6 137.68 5.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.473 ' CE2' HG22 ' A' ' 51' ' ' ILE . 26.0 m-85 -123.54 157.06 34.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.925 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.501 ' CD1' ' SD ' ' A' ' 104' ' ' MET . 11.2 mt -136.12 133.01 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.462 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 93.2 mt -115.86 126.19 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -111.83 124.52 52.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.52 ' C ' ' CD1' ' A' ' 58' ' ' TYR . 2.2 p90 -138.18 149.8 46.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -170.12 174.24 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.8 p -96.57 36.65 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -158.85 127.37 5.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.416 ' HB ' ' CE2' ' A' ' 93' ' ' TYR . 2.8 p -89.18 -31.56 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -95.92 27.79 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.92 142.53 33.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.555 ' OE1' ' CE1' ' A' ' 67' ' ' HIS . 47.8 mt-10 -61.66 137.94 58.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.4 tp -42.01 -26.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.555 ' CE1' ' OE1' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -56.71 -46.61 81.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -65.96 -33.7 76.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.806 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -61.69 138.83 58.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.481 HG11 ' CE2' ' A' ' 58' ' ' TYR . 8.1 p -76.61 153.56 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 55.4 mt -107.62 110.4 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -109.87 85.4 4.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.665 0.745 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 125.79 12.53 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 38.3 t -90.52 148.04 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.0 m -107.31 171.18 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.66 38.16 14.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.523 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.1 p30 39.66 36.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.427 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 30.4 ttt180 -69.32 136.66 52.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.538 ' O ' ' CE3' ' A' ' 41' ' ' TRP . 40.8 mt -92.17 -3.18 55.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.7 t -127.53 139.53 52.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -132.92 133.7 43.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.43 ' N ' ' OE1' ' A' ' 82' ' ' GLN . 7.4 mp0 -97.12 119.37 35.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.7 mt -114.73 121.59 67.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -118.06 -175.66 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 59.79 33.4 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.6 mt -93.96 164.36 13.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.6 m -88.39 140.87 29.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.6 mt -90.2 163.57 14.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 28.2 t70 49.15 44.22 22.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.9 m -148.72 125.74 5.49 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.562 0.696 . . . . 0.0 111.141 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 108.91 2.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -108.06 124.85 50.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.416 ' CE2' ' HB ' ' A' ' 62' ' ' VAL . 1.9 m-85 -87.6 126.23 34.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -112.48 146.37 38.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.406 ' HZ3' ' N ' ' A' ' 110' ' ' ALA . 24.1 mttm -135.06 151.32 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 97' ' ' GLN . 19.7 mt -132.32 145.52 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.411 ' N ' HG23 ' A' ' 96' ' ' ILE . 23.3 tt0 -143.44 154.58 43.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.86 129.38 56.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -133.84 143.62 48.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -124.84 177.42 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.8 m -47.51 -21.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 3.6 mptt -81.0 -62.57 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -172.88 -151.29 7.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.501 ' SD ' ' CD1' ' A' ' 55' ' ' ILE . 5.5 mtm -123.19 158.55 30.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.84 -162.63 24.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 151.58 69.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -75.11 150.38 38.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.0 p -87.03 173.73 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -70.3 143.13 52.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.406 ' N ' ' HZ3' ' A' ' 95' ' ' LYS . . . -68.84 120.81 15.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.5 t -96.27 107.35 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -78.15 100.72 6.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.519 ' CG ' HG11 ' A' ' 27' ' ' VAL . 38.8 t80 -110.67 115.55 29.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -72.29 120.07 17.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.4 p -60.07 146.44 82.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 111.103 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -163.62 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.295 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -140.75 161.82 36.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.803 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.409 HD11 ' N ' ' A' ' 16' ' ' LEU . 5.6 mp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.838 0.351 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 m -41.24 154.2 0.23 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 0.0 111.124 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.444 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 53.4 Cg_endo -69.77 100.03 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.3 t -84.35 26.36 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.8 t -131.67 136.53 28.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 157.49 60.14 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.302 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 156.18 63.81 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.649 2.233 . . . . 0.0 112.35 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -116.98 173.97 6.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.2 t0 60.7 33.51 20.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.9 t -69.32 116.02 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -142.81 139.77 31.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t -127.8 111.04 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.7 m -109.49 179.58 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.0 p -119.59 147.33 44.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -91.57 133.95 35.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 32' ' ' GLY . 52.5 tt0 -73.47 -66.64 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' GLU . . . -37.51 -35.51 0.2 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.483 ' CE ' ' HB2' ' A' ' 35' ' ' LYS . 1.3 tmtm? -141.91 118.91 7.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.594 0.711 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -39.29 6.53 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.317 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HB2' ' CE ' ' A' ' 33' ' ' LYS . 40.1 mttp -68.0 -2.35 7.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.0 m -114.2 138.53 50.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 94' ' ' PHE . 7.5 pt -135.41 159.25 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.473 ' N ' ' CD1' ' A' ' 38' ' ' ILE . 2.1 mp -121.5 137.04 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.1 t -127.35 116.14 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -103.07 158.16 16.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.562 ' CH2' HD13 ' A' ' 56' ' ' ILE . 27.1 p90 -170.29 178.2 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -138.72 159.38 67.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.9 66.31 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 139.21 39.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.715 2.277 . . . . 0.0 112.377 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.2 t -60.46 -39.3 87.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -87.51 77.2 8.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -106.35 68.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 47' ' ' ALA . 11.5 m-80 -35.2 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -118.22 -152.16 9.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.437 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -114.11 137.86 51.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.755 0.312 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.9 mm -85.71 142.22 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.0 p -129.4 -31.2 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.2 179.2 38.53 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -140.47 167.93 21.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.351 . . . . 0.0 110.925 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.495 ' CG2' ' CZ ' ' A' ' 57' ' ' TYR . 61.7 mt -138.41 124.72 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.098 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.562 HD13 ' CH2' ' A' ' 41' ' ' TRP . 97.9 mt -104.91 140.32 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.495 ' CZ ' ' CG2' ' A' ' 55' ' ' ILE . 11.0 m-85 -125.54 129.81 50.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.507 ' C ' ' CD1' ' A' ' 58' ' ' TYR . 3.0 p90 -144.1 141.07 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.0 t -157.95 146.54 19.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.825 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.9 p -53.68 -31.92 49.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -98.39 144.06 28.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.93 -16.58 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.071 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.53 -16.65 22.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.99 151.55 6.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' HIS . 31.3 mt-10 -74.41 136.92 42.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 65' ' ' GLU . 7.6 tp -36.12 -32.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' GLU . 2.3 m170 -54.68 -49.04 71.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.97 -36.21 83.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.501 ' CZ3' ' HE2' ' A' ' 95' ' ' LYS . 30.9 m95 -55.55 132.5 48.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.495 HG13 ' CE2' ' A' ' 58' ' ' TYR . 8.4 p -67.17 155.67 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 91.5 mt -110.55 109.58 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -108.07 86.18 3.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.617 0.722 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 133.24 25.04 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.0 t -105.75 106.28 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.5 m -55.47 170.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.92 -165.5 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' ARG . 13.8 t30 -91.3 8.22 37.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' ASN . 8.2 ttm-85 -37.17 150.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.428 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 38.0 mt -120.19 6.23 10.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 t -135.57 150.14 49.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -137.94 146.76 43.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -117.54 96.47 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.3 mt -88.35 118.22 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -108.44 -177.93 3.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 59.78 41.54 18.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.1 mt -102.1 163.37 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 24.0 m -83.12 158.06 22.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 29.3 mt -104.76 161.05 14.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.408 ' HB2' ' NZ ' ' A' ' 117' ' ' LYS . 33.2 t70 43.4 46.0 5.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.6 m -142.6 130.74 11.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.571 0.7 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 107.18 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.724 2.283 . . . . 0.0 112.35 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -107.49 140.22 40.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -107.97 122.4 46.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.953 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.543 ' CZ ' ' CD1' ' A' ' 37' ' ' ILE . 82.3 m-85 -109.48 154.6 22.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.501 ' HE2' ' CZ3' ' A' ' 69' ' ' TRP . 26.1 mtmt -143.63 139.02 29.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 97' ' ' GLN . 19.6 mt -111.55 146.34 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.445 ' N ' HG22 ' A' ' 96' ' ' ILE . 36.9 tt0 -153.07 140.58 19.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.57 156.7 17.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -153.66 148.94 27.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.6 p30 -128.04 -179.12 4.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.2 m -44.95 -23.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.89 -75.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -162.18 -158.95 9.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.423 ' HB3' ' CD ' ' A' ' 97' ' ' GLN . 19.4 mtm -96.11 173.48 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -117.41 -149.72 9.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.444 ' CD ' ' O ' ' A' ' 18' ' ' PRO . 53.4 Cg_endo -69.76 172.8 11.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 10.4 mtt -119.85 131.74 55.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 98.7 p -71.71 167.54 19.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.813 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -67.7 140.59 56.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.75 108.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.8 t -84.55 106.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -81.0 117.11 21.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -129.36 133.54 47.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -85.74 138.3 32.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 9.6 p -81.03 148.65 64.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 111.118 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -163.74 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 89' ' ' ASP . 5.8 mmpt? -137.5 152.15 49.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.77 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.851 0.357 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.4 m -47.31 153.6 0.92 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.618 0.723 . . . . 0.0 111.17 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 104.49 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.5 t -85.79 24.88 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 t -132.37 138.27 31.83 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.728 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 167.45 24.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.719 2.279 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 179.41 3.74 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.296 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.63 -179.94 6.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.7 t0 48.26 43.53 19.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.7 t -73.41 117.98 18.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 p -139.15 141.84 38.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.4 t -130.89 113.96 25.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.0 m -122.8 165.58 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.4 p -93.44 158.52 15.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.3 tttm -90.08 138.96 31.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -75.53 114.25 13.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.73 -45.53 1.28 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.83 117.46 28.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.596 0.712 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -51.82 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -48.72 -23.0 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m -93.57 141.06 28.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.089 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 pt -144.05 157.6 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.402 ' N ' ' CD1' ' A' ' 38' ' ' ILE . 3.3 mp -118.9 135.18 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 82.6 t -124.09 108.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -99.41 157.54 16.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.475 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 36.3 p90 -161.17 179.66 8.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -139.13 152.73 70.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 150.94 68.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 143.91 52.54 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.353 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.3 m -62.84 -23.68 67.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -102.43 73.82 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.31 64.47 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -38.61 -35.75 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -113.83 -173.62 18.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -93.71 137.81 32.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.716 0.294 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.1 mm -79.31 138.81 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.172 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.2 p -123.01 -36.7 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.63 -176.9 36.02 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -140.22 169.64 17.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.481 HG21 ' CZ ' ' A' ' 57' ' ' TYR . 52.5 mt -138.57 136.15 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.135 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.475 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 95.0 mt -117.53 132.5 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.481 ' CZ ' HG21 ' A' ' 55' ' ' ILE . 3.0 m-85 -118.69 121.58 40.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.531 ' CE1' HG13 ' A' ' 70' ' ' VAL . 5.7 p90 -135.53 137.6 42.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.1 t -156.03 151.94 27.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.3 p -62.15 -29.12 70.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -93.34 151.26 19.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.3 p -109.35 -20.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -99.22 -15.09 19.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.24 142.52 42.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -61.26 136.13 57.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.8 tp -42.04 -27.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -54.49 -46.61 73.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.24 -34.36 76.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -55.94 126.84 27.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.531 HG13 ' CE1' ' A' ' 58' ' ' TYR . 8.7 p -60.47 153.06 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 53.3 mt -110.04 112.11 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -107.19 84.54 1.72 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.58 0.705 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 133.4 25.38 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.313 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.433 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 22.5 t -114.36 150.33 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.0 m -122.68 -176.31 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 78' ' ' ARG . . . 56.31 41.6 87.5 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 76' ' ' GLY . 25.2 p30 36.95 31.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 76' ' ' GLY . 3.7 tpt85 -65.07 134.93 54.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.466 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 64.1 mt -100.76 2.67 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 t -138.41 146.82 42.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -132.13 136.81 47.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -104.58 101.71 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.8 mt -96.26 143.45 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.11 -178.77 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 62.51 47.83 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.8 mt -112.99 165.72 12.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -85.56 150.57 24.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mt -99.41 172.79 7.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.1 t0 44.82 32.2 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.5 m -141.02 123.78 9.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 111.187 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.78 3.49 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.331 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -105.59 139.98 39.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -103.68 125.4 50.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -111.84 170.35 8.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -152.79 140.6 20.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 97' ' ' GLN . 16.9 mt -118.56 150.2 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.403 ' N ' HG22 ' A' ' 96' ' ' ILE . 14.6 tt0 -159.62 149.41 18.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -110.48 146.47 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.459 ' CB ' ' HA ' ' A' ' 104' ' ' MET . 6.8 ptt180 -150.94 151.87 32.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 101' ' ' SER . 34.0 p30 -124.6 172.96 8.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 100' ' ' ASN . 50.2 m -36.18 -36.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -65.64 -74.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -163.08 -165.16 19.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.459 ' HA ' ' CB ' ' A' ' 99' ' ' ARG . 0.9 OUTLIER -100.58 160.34 14.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.45 -156.4 21.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 152.01 69.1 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 18.3 mtt -91.2 154.61 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 109' ' ' GLU . 6.3 t -93.75 177.5 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.439 ' N ' ' OG ' ' A' ' 108' ' ' SER . 21.6 mt-10 -71.97 153.97 41.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.75 116.27 10.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.1 t -82.46 111.68 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.26 115.06 23.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -137.16 119.84 16.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.1 ttp85 -75.08 138.37 42.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.8 p -76.72 147.04 77.44 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.614 0.721 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -163.67 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.656 2.237 . . . . 0.0 112.322 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -139.55 162.93 33.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.818 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 m -52.26 151.56 7.01 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.654 0.74 . . . . 0.0 111.131 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 99.95 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.391 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 t -81.67 16.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 p -128.74 141.65 42.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.679 0.752 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.01 25.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -170.3 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.675 2.25 . . . . 0.0 112.308 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -143.8 172.78 12.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 53.91 42.22 31.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.4 t -75.39 113.7 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 p -130.23 142.62 50.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.2 t -131.0 107.76 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.27 172.63 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 m -113.47 141.89 46.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.463 ' HE2' ' CG2' ' A' ' 36' ' ' THR . 2.1 tppt? -75.67 152.29 37.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -84.48 -58.44 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.26 -31.49 6.36 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.16 132.79 12.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -39.24 6.67 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.665 2.243 . . . . 0.0 112.309 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -70.2 -36.21 74.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.463 ' CG2' ' HE2' ' A' ' 30' ' ' LYS . 82.2 m -66.24 122.77 18.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 pt -130.39 156.44 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.75 137.01 53.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.6 t -122.19 108.18 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -103.92 160.69 14.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.536 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 36.1 p90 -169.43 179.31 3.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -135.51 154.72 78.55 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.594 0.712 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 145.88 58.49 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.274 . . . . 0.0 112.351 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 161.58 45.39 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.669 2.246 . . . . 0.0 112.3 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.3 p -74.52 -37.77 62.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.75 47.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -40.22 -38.47 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 39.44 25.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . 160.49 173.05 28.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -86.16 121.48 28.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.9 mm -67.87 130.2 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.1 p -106.4 -42.42 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.429 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -163.43 -173.21 31.87 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.432 ' CZ ' HD23 ' A' ' 79' ' ' LEU . 10.8 m-85 -143.04 158.29 43.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.898 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.45 HG22 ' CE1' ' A' ' 57' ' ' TYR . 16.5 mt -131.87 141.76 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.2 mt -118.3 135.49 58.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.45 ' CE1' HG22 ' A' ' 55' ' ' ILE . 5.6 m-85 -123.73 129.1 50.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 8.2 p90 -140.24 165.9 26.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -172.68 171.86 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.4 p -89.11 9.42 25.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.159 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -149.25 138.24 21.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.5 p -91.93 -18.1 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -97.55 32.96 2.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.4 149.6 26.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 68' ' ' ASP . 12.9 mp0 -62.06 130.04 43.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 65' ' ' GLU . 10.0 tp -34.27 -37.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.663 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.0 p-80 -60.08 -47.76 84.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.663 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 10.6 t0 -51.99 -34.94 44.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.522 ' CZ3' ' HD2' ' A' ' 95' ' ' LYS . 38.8 m95 -61.29 146.77 46.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.467 HG23 ' N ' ' A' ' 71' ' ' ILE . 10.1 p -81.22 150.87 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.467 ' N ' HG23 ' A' ' 70' ' ' VAL . 75.9 mt -104.01 114.51 43.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.407 ' OE1' ' CG1' ' A' ' 70' ' ' VAL . 2.5 mp0 -112.85 87.08 9.63 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.637 0.732 . . . . 0.0 110.809 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 134.0 26.84 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.634 2.222 . . . . 0.0 112.329 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.45 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 26.9 t -109.91 97.6 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.4 m -53.98 155.2 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.5 165.03 0.2 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -73.53 73.2 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.817 0.341 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.45 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 3.6 tpt180 -108.36 138.15 45.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.536 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 6.6 mt -107.29 1.55 23.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.5 t -128.28 149.43 50.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -139.41 148.28 42.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -126.34 107.65 10.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 74.2 mt -103.97 140.42 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -128.81 179.36 5.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 62.87 32.91 15.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.8 mt -91.02 176.68 6.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.38 166.68 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 mt -117.94 171.04 8.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.1 t70 44.97 32.98 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 95.0 m -138.32 127.58 14.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.715 . . . . 0.0 111.136 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 102.8 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.712 2.274 . . . . 0.0 112.328 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -102.05 127.99 48.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -99.2 135.23 40.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -122.95 146.91 47.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.522 ' HD2' ' CZ3' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -136.48 128.48 29.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.434 HG21 ' N ' ' A' ' 97' ' ' GLN . 17.8 mt -97.44 153.88 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.434 ' N ' HG21 ' A' ' 96' ' ' ILE . 30.0 tt0 -152.11 137.32 17.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.51 150.32 22.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -146.04 138.79 25.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -118.86 -177.88 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.2 m -43.15 -32.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -74.56 -70.82 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -167.98 -153.53 8.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.26 160.73 15.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -108.71 -160.78 19.99 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.74 45.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -74.55 144.21 44.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.0 p -66.63 174.11 3.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.67 150.81 46.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.68 107.3 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.3 t -83.62 101.06 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -76.74 113.59 14.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -132.95 115.56 15.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -73.65 135.69 43.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.1 p -80.23 146.6 62.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.601 0.715 . . . . 0.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -164.04 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.357 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -138.13 159.25 42.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.823 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.821 0.343 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.8 m -51.08 148.47 7.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 102.06 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.709 2.272 . . . . 0.0 112.342 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.4 t -84.27 21.08 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.2 p -134.4 143.34 46.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.688 0.756 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 163.55 37.88 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.616 2.211 . . . . 0.0 112.385 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -177.38 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.68 2.254 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -142.6 178.72 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 t70 50.55 43.42 27.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 72.7 t -76.7 128.9 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 p -150.06 145.14 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.458 HG13 ' CG ' ' A' ' 113' ' ' PHE . 39.8 t -127.29 105.66 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.4 m -106.34 167.2 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 p -110.26 161.33 15.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -98.13 135.74 39.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.19 -62.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -41.1 -39.21 2.01 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -138.71 130.44 15.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.543 0.687 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -51.69 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -54.43 -35.17 62.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.2 m -73.37 138.18 45.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.558 HD13 ' CE2' ' A' ' 94' ' ' PHE . 11.7 pt -139.11 159.02 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 38' ' ' ILE . 5.1 mp -126.03 118.2 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.5 t -95.52 112.39 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -103.49 124.66 49.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.534 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 26.6 p90 -142.18 -175.34 4.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -145.33 161.35 42.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 152.42 69.33 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 138.1 36.95 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.716 2.278 . . . . 0.0 112.321 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -47.75 -34.45 8.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -85.47 86.31 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.82 67.22 1.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -75.89 49.39 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 155.59 176.72 28.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.78 118.45 29.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.519 HG23 ' CZ ' ' A' ' 54' ' ' TYR . 29.0 mm -67.06 125.57 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.441 HG21 ' N ' ' A' ' 101' ' ' SER . 19.4 p -94.43 -30.89 14.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.578 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -178.04 -167.95 36.79 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.583 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 0.1 OUTLIER -149.17 150.43 32.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 0.0 110.917 -179.839 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.419 HG22 ' CZ ' ' A' ' 57' ' ' TYR . 69.5 mt -123.05 142.03 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.418 HD13 ' CH2' ' A' ' 41' ' ' TRP . 35.2 mt -121.58 137.28 55.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.419 ' CZ ' HG22 ' A' ' 55' ' ' ILE . 2.2 m-85 -121.55 129.75 53.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.505 ' C ' ' CD1' ' A' ' 58' ' ' TYR . 3.1 p90 -143.76 151.05 39.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -174.27 161.94 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.0 p -82.64 46.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.41 ' O ' ' CZ2' ' A' ' 69' ' ' TRP . 2.5 m-20 -165.93 137.83 3.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.39 -23.05 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -98.37 -13.17 20.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.35 131.9 38.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.9 OUTLIER -46.31 134.94 8.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.2 tp -41.5 -40.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.654 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 0.8 OUTLIER -62.54 -37.76 87.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.654 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 34.2 t0 -59.27 -28.2 66.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 61' ' ' ASP . 11.8 m95 -70.76 131.8 44.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.492 HG11 ' CE2' ' A' ' 58' ' ' TYR . 3.8 p -58.01 149.83 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.081 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.0 mt -105.85 108.09 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -107.18 84.3 1.64 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.643 0.735 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 135.45 30.46 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.304 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.422 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 58.4 t -106.56 113.49 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.0 m -70.98 155.93 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.94 176.31 0.76 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.429 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -81.04 77.83 7.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.781 0.324 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.422 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 5.0 tpt180 -112.94 148.8 34.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.534 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 89.6 mt -117.55 4.55 12.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.44 146.52 44.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -134.86 154.78 51.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -120.86 114.05 21.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 45.5 mt -111.6 143.81 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -134.54 -174.57 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 63.89 34.73 11.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.2 mt -107.65 140.85 40.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.523 ' CG2' ' HB ' ' A' ' 90' ' ' THR . 0.6 OUTLIER -65.09 169.98 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.165 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 89' ' ' ASP . 21.5 mt -104.7 171.56 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 88' ' ' LEU . 33.8 t70 32.49 54.26 0.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.523 ' HB ' ' CG2' ' A' ' 87' ' ' THR . 3.3 m -140.8 132.66 14.05 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.584 0.706 . . . . 0.0 111.13 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 112.16 3.01 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -116.93 141.71 47.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -113.19 125.48 54.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.558 ' CE2' HD13 ' A' ' 37' ' ' ILE . 67.7 m-85 -110.67 149.07 30.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -134.98 136.3 42.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.6 mt -116.76 154.68 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -161.03 142.62 11.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -101.57 130.92 47.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.4 ptt-85 -130.71 140.86 50.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 0.3 OUTLIER -118.79 177.76 4.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.441 ' N ' HG21 ' A' ' 52' ' ' THR . 10.1 t -45.69 -37.17 5.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.45 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.4 OUTLIER -62.93 -72.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.16 -147.42 4.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.7 mtm -117.4 159.35 22.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.789 0.328 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -104.69 -167.61 24.42 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 149.5 67.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.375 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 10.7 mmt -82.06 136.81 35.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.2 p -72.03 173.32 8.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -74.22 132.97 42.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -43.06 140.29 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 97.4 t -114.85 102.33 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -76.28 121.74 23.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.458 ' CG ' HG13 ' A' ' 27' ' ' VAL . 17.7 t80 -141.12 116.78 10.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -75.22 126.61 31.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.3 p -59.9 151.56 63.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.574 0.702 . . . . 0.0 111.119 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -163.82 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.747 2.298 . . . . 0.0 112.351 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.42 ' NZ ' ' HA ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -136.31 155.6 49.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.851 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.5 m -45.55 152.26 0.7 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 111.14 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.402 ' HD3' ' ND2' ' A' ' 100' ' ' ASN . 53.7 Cg_endo -69.75 108.54 2.1 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 p -89.03 13.88 11.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -126.34 138.5 32.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.844 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 169.16 19.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.353 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -177.54 1.93 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -146.92 171.91 14.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 46.1 53.97 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.5 t -85.53 112.37 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -126.4 148.68 49.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.3 t -132.99 117.69 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.4 m -120.67 174.56 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.1 t -120.08 146.29 46.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -57.99 154.8 11.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -88.61 -6.94 57.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.19 8.97 4.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.404 ' CG ' ' HB ' ' A' ' 36' ' ' THR . 18.8 tptm -154.03 105.02 2.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -41.37 4.36 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.274 . . . . 0.0 112.348 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -66.94 -8.21 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 37' ' ' ILE . 36.3 m -113.77 138.29 50.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.424 ' N ' HG22 ' A' ' 36' ' ' THR . 12.1 pt -136.23 156.46 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 mp -118.87 118.66 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.5 t -98.99 105.22 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -97.68 125.78 42.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.473 ' CD2' HD13 ' A' ' 96' ' ' ILE . 40.3 p90 -135.13 -177.32 4.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -144.94 142.51 18.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 0.0 110.951 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.432 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 53.7 Cg_endo -69.73 163.16 39.27 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 157.24 60.92 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.291 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -81.27 14.82 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 47' ' ' ALA . 21.9 mt-10 -110.38 -52.33 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 33.97 45.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' ALA . 74.6 m-20 -36.29 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -132.71 164.13 24.06 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -62.88 115.36 4.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.428 ' CG2' ' CZ ' ' A' ' 54' ' ' TYR . 13.7 mm -70.36 116.08 10.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.7 p -81.12 -26.29 36.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.434 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . 172.03 -164.78 37.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 53' ' ' GLY . 8.0 m-85 -148.11 153.25 38.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.842 0.353 . . . . 0.0 110.938 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.457 HG23 ' CZ ' ' A' ' 57' ' ' TYR . 72.4 mt -119.57 144.59 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.5 mt -123.57 132.97 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.457 ' CZ ' HG23 ' A' ' 55' ' ' ILE . 5.5 m-85 -116.81 114.41 23.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.495 ' CE2' HG13 ' A' ' 70' ' ' VAL . 9.7 p90 -121.37 144.1 48.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.459 ' HB2' ' CD2' ' A' ' 69' ' ' TRP . 2.2 m -169.38 148.55 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.877 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.5 p -64.36 -26.1 68.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.541 ' O ' ' CZ2' ' A' ' 69' ' ' TRP . 1.0 OUTLIER -91.49 138.23 31.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.52 ' HB ' ' CZ ' ' A' ' 93' ' ' TYR . 14.5 p -99.64 -11.43 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -110.09 -22.69 11.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.27 134.59 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' HIS . 2.3 mp0 -47.43 127.64 11.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.0 tp -40.89 -25.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.177 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.635 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.0 p-80 -69.73 -43.54 72.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.635 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 38.8 t70 -60.67 -30.27 69.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.541 ' CZ2' ' O ' ' A' ' 61' ' ' ASP . 16.9 m95 -60.79 154.31 22.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.495 HG13 ' CE2' ' A' ' 58' ' ' TYR . 7.3 p -81.03 155.6 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.188 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.1 mt -109.63 111.62 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -107.63 86.63 2.97 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 130.48 19.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 99.8 t -107.15 98.34 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.4 m -53.36 167.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.64 -175.09 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -88.06 26.7 1.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.459 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 1.0 OUTLIER -53.17 144.96 14.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 26.0 mt -112.45 2.42 16.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.08 149.58 46.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -125.41 153.81 42.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -125.08 96.93 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 33.5 mt -94.33 145.81 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.23 176.55 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 58.34 53.8 6.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.2 mt -115.72 162.49 17.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.1 m -81.51 153.26 26.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.4 mt -106.05 171.27 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.409 ' HB2' ' NZ ' ' A' ' 117' ' ' LYS . 22.3 t70 45.39 41.64 6.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.6 m -147.65 131.07 8.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.538 0.685 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 110.58 2.58 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.343 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -105.77 140.89 38.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.52 ' CZ ' ' HB ' ' A' ' 62' ' ' VAL . 26.9 m-85 -105.03 140.35 38.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -128.31 148.69 50.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -140.47 127.96 21.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.473 HD13 ' CD2' ' A' ' 41' ' ' TRP . 88.8 mt -109.62 153.57 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.452 ' N ' HG23 ' A' ' 96' ' ' ILE . 18.9 tt0 -156.37 139.15 15.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.45 127.26 46.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.451 ' CB ' ' HA ' ' A' ' 104' ' ' MET . 17.3 ptt180 -133.86 153.94 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.43 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 0.5 OUTLIER -122.33 -177.28 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 64.7 m -48.4 -36.71 15.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.417 ' HE2' ' N ' ' A' ' 102' ' ' LYS . 0.5 OUTLIER -68.89 -72.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -158.64 -168.61 21.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.451 ' HA ' ' CB ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -103.77 170.67 7.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 110.849 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -112.8 -156.62 12.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 150.36 68.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 30.0 mtt -93.07 139.61 30.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.1 p -76.44 166.34 23.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -63.37 157.65 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.06 112.06 6.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 55.4 t -84.13 102.58 10.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -76.73 112.41 13.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -126.99 117.98 23.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -72.14 133.18 45.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.6 p -72.81 150.25 90.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -163.59 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 89' ' ' ASP . 6.3 mmpt? -141.91 154.98 45.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 179.859 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.443 ' CD2' ' N ' ' A' ' 16' ' ' LEU . 2.2 mm? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.6 m -57.17 154.11 22.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.748 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 97.03 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 0.0 112.325 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.5 p -82.83 19.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -123.47 132.69 24.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.55 37.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 175.48 8.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.375 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -131.28 177.71 7.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.4 t0 50.63 37.28 15.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.08 104.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.1 p -133.08 147.3 52.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.5 t -126.59 110.99 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.4 m -112.24 166.37 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.1 p -110.93 166.7 10.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -100.43 137.71 38.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -69.1 -62.52 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -44.89 -37.39 5.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -136.73 129.5 17.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.554 0.692 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -49.6 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -54.63 -41.99 70.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 m -67.59 134.55 51.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.4 pt -139.49 149.84 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.38 123.24 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.5 t -106.5 115.46 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.57 162.74 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.493 ' CE3' HD11 ' A' ' 96' ' ' ILE . 28.2 p90 -174.99 -176.11 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -147.32 157.98 44.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.573 0.702 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 152.45 69.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.344 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 133.5 25.61 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.637 2.225 . . . . 0.0 112.341 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.1 m -46.69 -38.63 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -90.28 92.96 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ASN . . . -102.12 65.22 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' ALA . 81.9 m-20 -35.85 -40.62 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.8 -142.69 5.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.23 129.86 56.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.732 0.301 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.5 mm -80.0 110.62 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.179 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 101' ' ' SER . 61.1 p -83.93 -38.02 21.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.55 -175.09 35.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 1.2 m-85 -138.72 148.91 44.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.921 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.491 ' CD1' ' SD ' ' A' ' 104' ' ' MET . 47.7 mt -119.12 139.61 45.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.0 mt -118.63 133.77 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.186 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -119.49 130.68 55.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.561 ' CE2' HG12 ' A' ' 70' ' ' VAL . 2.1 p90 -147.75 148.02 30.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.2 t -174.13 132.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.0 p -42.87 -34.66 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.176 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -91.38 131.16 37.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 p -95.45 -25.14 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -85.35 -15.79 42.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.81 149.83 10.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 67' ' ' HIS . 8.8 mp0 -62.66 134.78 56.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 67' ' ' HIS . 10.1 tp -38.9 -28.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.664 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 0.9 OUTLIER -68.71 -45.25 72.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.664 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 3.9 t70 -56.78 -24.21 48.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.469 ' CZ3' ' HE3' ' A' ' 95' ' ' LYS . 13.3 m95 -70.12 132.6 46.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.561 HG12 ' CE2' ' A' ' 58' ' ' TYR . 8.5 p -64.44 146.35 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.432 ' N ' HG22 ' A' ' 70' ' ' VAL . 48.4 mt -103.49 109.67 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -107.21 84.66 1.77 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.594 0.712 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 132.13 22.78 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 85.1 t -106.74 109.24 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.97 157.71 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.93 -178.48 2.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -85.89 43.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.483 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 4.1 tpt180 -74.59 137.22 42.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.7 mt -105.9 8.29 32.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 t -136.4 154.13 50.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -140.85 149.74 42.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -114.42 105.03 12.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.47 HG21 ' CD1' ' A' ' 86' ' ' LEU . 84.3 mt -106.98 112.26 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -118.08 -175.95 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 63.37 48.36 3.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' A' ' 83' ' ' ILE . 13.4 mt -119.43 168.08 11.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.4 m -79.65 150.51 30.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 20.3 mt -99.76 165.29 11.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.1 t0 44.35 44.14 6.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.414 ' CG2' ' HD2' ' A' ' 91' ' ' PRO . 87.3 m -143.34 137.06 14.32 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.556 0.693 . . . . 0.0 111.155 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.414 ' HD2' ' CG2' ' A' ' 90' ' ' THR . 53.5 Cg_endo -69.75 121.46 8.16 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -122.1 142.44 50.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -113.44 125.42 54.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -117.09 150.36 38.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.469 ' HE3' ' CZ3' ' A' ' 69' ' ' TRP . 5.4 mtmp? -140.61 127.94 21.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.493 HD11 ' CE3' ' A' ' 41' ' ' TRP . 53.1 mt -107.49 144.96 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.446 ' N ' HG23 ' A' ' 96' ' ' ILE . 0.7 OUTLIER -142.64 154.22 44.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.07 117.09 32.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.448 ' HD3' ' CD1' ' A' ' 55' ' ' ILE . 33.9 ptt85 -116.18 149.74 38.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -122.49 -175.85 3.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.455 ' N ' HG23 ' A' ' 52' ' ' THR . 14.4 t -53.8 -32.07 51.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -73.57 -70.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -158.52 -160.65 10.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.417 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.491 ' SD ' ' CD1' ' A' ' 55' ' ' ILE . 48.1 mtm -104.51 156.39 17.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.5 -157.98 25.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 162.49 41.9 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 45.9 mtt -108.15 146.3 32.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.1 p -78.03 176.46 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -73.25 152.27 41.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.88 108.55 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.6 t -82.52 101.06 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -76.62 100.87 5.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -114.3 113.97 25.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -72.11 117.76 14.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 9.6 p -54.97 147.26 34.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.546 0.688 . . . . 0.0 111.152 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -141.45 155.61 45.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.073 179.85 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.891 0.377 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.4 m -55.34 153.41 13.8 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.601 0.715 . . . . 0.0 111.118 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 102.55 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -85.78 5.88 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 t -116.89 136.39 23.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 163.67 37.37 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.365 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 158.22 57.72 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.79 -179.04 3.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t70 53.56 27.76 7.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.0 107.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.5 p -136.72 147.3 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.77 112.55 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.2 m -111.75 -179.97 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.1 p -112.38 169.33 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -103.61 141.56 35.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -84.36 104.9 14.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 121.66 -28.82 5.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -128.77 101.64 20.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.539 0.685 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -18.15 37.02 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -86.81 -7.21 58.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -111.83 150.18 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.554 HD11 ' CE2' ' A' ' 94' ' ' PHE . 7.2 pt -148.07 156.31 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.3 mp -117.24 124.11 72.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.424 ' O ' ' CZ3' ' A' ' 41' ' ' TRP . 87.2 t -104.3 103.74 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -91.14 154.95 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.529 ' CH2' HD11 ' A' ' 56' ' ' ILE . 22.4 p90 -171.01 -176.84 2.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -146.8 161.19 38.47 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.576 0.703 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 151.19 69.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.39 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 163.46 38.14 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.647 2.231 . . . . 0.0 112.366 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -83.42 -20.39 34.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -100.28 38.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -46.6 -38.24 9.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 39.38 25.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . 161.85 145.63 4.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 141.64 6.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.7 mm -99.07 117.65 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 101' ' ' SER . 15.0 p -75.18 -49.12 20.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.185 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -166.38 -156.77 9.74 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.444 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 53' ' ' GLY . 7.4 m-85 -151.54 156.35 40.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 0.0 110.962 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.427 ' CG2' ' CZ ' ' A' ' 57' ' ' TYR . 42.7 mt -123.03 138.94 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.529 HD11 ' CH2' ' A' ' 41' ' ' TRP . 91.6 mt -118.25 130.14 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CZ ' ' CG2' ' A' ' 55' ' ' ILE . 3.0 m-85 -118.95 123.56 44.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.536 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 4.3 p90 -133.08 137.27 46.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -155.21 150.43 27.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 40.7 p -60.17 -40.7 90.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.153 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -88.08 143.79 26.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.3 p -97.58 -12.01 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.57 -13.51 15.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.51 134.22 24.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 68' ' ' ASP . 14.7 mt-10 -46.98 132.17 11.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.5 tp -42.18 -27.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.682 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 1.2 p-80 -69.67 -42.19 74.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.682 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -61.63 -23.64 66.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -69.17 145.15 53.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.473 HG13 ' CZ ' ' A' ' 58' ' ' TYR . 5.5 p -76.2 154.89 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.9 mt -111.38 108.97 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -109.09 87.25 4.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 140.77 43.66 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.375 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.9 t -110.1 122.44 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.0 m -76.49 160.15 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.26 -173.91 0.95 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -86.88 36.29 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -73.67 146.01 44.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.501 ' HA ' ' CE2' ' A' ' 41' ' ' TRP . 7.6 mt -119.03 12.58 12.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.3 t -137.88 141.63 40.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -134.22 149.64 50.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -117.08 105.17 11.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.1 mt -99.98 126.45 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -115.41 -176.41 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 59.61 37.01 22.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.5 mt -100.24 152.38 20.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.69 151.28 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 89' ' ' ASP . 13.7 mt -97.8 177.07 5.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 88' ' ' LEU . 15.5 t0 36.91 43.62 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 51.9 m -146.82 127.17 6.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 111.139 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 108.84 2.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.369 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -102.54 130.23 49.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -98.45 116.47 30.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.554 ' CE2' HD11 ' A' ' 37' ' ' ILE . 34.4 m-85 -107.54 158.11 17.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -149.63 140.81 23.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 97' ' ' GLN . 40.9 mt -117.11 153.36 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.422 ' N ' HG22 ' A' ' 96' ' ' ILE . 30.1 tt0 -154.52 136.3 14.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -101.32 126.65 48.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.456 ' CB ' ' HG2' ' A' ' 104' ' ' MET . 19.6 ptt180 -127.88 151.29 49.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 100' ' ' ASN . 0.6 OUTLIER -126.41 176.91 6.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.452 ' N ' HG23 ' A' ' 52' ' ' THR . 29.0 t -44.16 -34.7 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.462 ' HE2' ' N ' ' A' ' 102' ' ' LYS . 0.4 OUTLIER -65.95 -73.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -158.83 -149.77 5.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.456 ' HG2' ' CB ' ' A' ' 99' ' ' ARG . 57.6 mtm -116.26 156.7 26.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.97 -158.57 24.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 163.53 37.95 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 27.7 mtt -105.58 122.67 46.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.5 p -54.49 160.22 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -65.29 140.78 58.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.42 116.73 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 84.4 t -89.18 101.52 12.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -76.8 100.72 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -115.98 114.57 24.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.1 ttm-85 -72.45 118.99 16.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 14.8 p -58.17 144.27 77.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.555 0.693 . . . . 0.0 111.164 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -138.72 157.09 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.828 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.8 mm? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.827 0.346 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.0 m -44.97 154.1 0.47 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.624 0.726 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.456 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 53.9 Cg_endo -69.74 107.26 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.724 2.283 . . . . 0.0 112.339 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.1 p -86.17 12.67 9.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 t -124.52 135.94 27.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 163.76 37.08 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.719 2.279 . . . . 0.0 112.33 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 168.59 21.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -128.85 179.9 5.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t0 52.72 35.27 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.8 t -68.1 108.43 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 p -136.45 144.32 44.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.9 t -132.72 112.02 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.73 176.31 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -115.53 157.11 24.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -93.13 146.08 23.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 32' ' ' GLY . 14.6 tp10 -74.27 -67.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 31' ' ' GLU . . . -36.35 -37.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.527 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -139.34 131.63 15.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.541 0.686 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -51.42 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -52.45 -43.05 64.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.4 m -62.92 140.73 58.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.2 pt -143.27 156.15 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mp -118.92 130.53 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.5 t -117.13 111.9 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -102.67 150.92 22.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.528 ' CZ3' HD13 ' A' ' 56' ' ' ILE . 33.5 p90 -160.68 -176.19 5.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -145.48 155.73 53.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.647 0.737 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 154.29 68.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 0.0 112.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 144.38 54.24 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.349 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.5 t -59.67 -47.5 85.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 47' ' ' ALA . 57.1 mm-40 -48.02 -50.17 28.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 34.29 51.37 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 47' ' ' ALA . 98.5 m-20 -34.34 -35.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -142.45 -152.19 5.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -84.34 177.51 8.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.312 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.9 mm -133.25 122.98 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.3 p -96.8 -34.48 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.186 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.22 -169.29 35.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -142.49 172.0 13.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.858 0.361 . . . . 0.0 110.949 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.418 ' CG2' ' CZ ' ' A' ' 57' ' ' TYR . 28.7 mt -139.43 131.95 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.528 HD13 ' CZ3' ' A' ' 41' ' ' TRP . 67.7 mt -111.99 134.3 54.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.418 ' CZ ' ' CG2' ' A' ' 55' ' ' ILE . 13.3 m-85 -120.92 122.61 40.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.505 ' CE1' HG12 ' A' ' 70' ' ' VAL . 3.1 p90 -134.61 151.43 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 t -171.18 144.06 2.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.41 HG21 ' CE2' ' A' ' 92' ' ' TYR . 37.7 p -49.5 -51.78 33.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.415 ' CG ' ' HB2' ' A' ' 64' ' ' ALA . 1.1 p30 -73.6 157.07 37.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.445 ' HB ' ' CE1' ' A' ' 93' ' ' TYR . 9.3 p -111.21 -25.15 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -92.91 -14.55 27.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.415 ' HB2' ' CG ' ' A' ' 61' ' ' ASP . . . -51.78 140.41 19.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -53.13 136.87 35.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.0 tp -50.2 -20.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.544 ' CD2' ' C ' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -75.38 -34.23 61.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.857 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.528 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 29.4 t0 -68.94 -31.18 69.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -59.78 151.08 26.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.505 HG12 ' CE1' ' A' ' 58' ' ' TYR . 9.5 p -78.35 150.64 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.407 ' C ' ' OE1' ' A' ' 72' ' ' GLU . 67.0 mt -104.33 116.68 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 4.8 mp0 -115.98 84.61 13.64 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.61 0.719 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 142.51 48.07 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.633 2.222 . . . . 0.0 112.357 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.4 t -112.65 121.09 64.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.1 m -75.55 168.52 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.98 -168.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -91.94 42.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.362 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -78.7 139.07 38.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.462 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 62.3 mt -110.16 1.03 18.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -129.36 139.81 51.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -126.41 154.06 44.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -123.48 109.44 13.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.1 mt -107.2 145.22 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.07 -175.83 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 63.43 38.99 9.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.7 mt -104.33 149.62 25.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.9 m -75.73 137.17 40.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 89' ' ' ASP . 17.4 mt -82.67 -179.65 7.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 24.7 t70 36.28 43.31 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.2 m -147.75 122.56 5.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 111.04 2.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.41 ' CE2' HG21 ' A' ' 60' ' ' THR . 12.5 m-85 -105.6 147.68 28.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.445 ' CE1' ' HB ' ' A' ' 62' ' ' VAL . 30.9 m-85 -112.16 126.12 54.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -113.54 152.81 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -139.92 139.1 36.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 97' ' ' GLN . 20.3 mt -112.82 144.32 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.42 ' CD ' ' HB3' ' A' ' 104' ' ' MET . 38.6 tt0 -149.91 141.74 23.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.29 158.09 16.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -154.95 145.15 21.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 102' ' ' LYS . 14.3 p-10 -127.81 -178.15 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.5 p -43.71 -22.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 100' ' ' ASN . 14.3 mmmt -83.89 -75.08 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -165.14 -155.43 8.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.535 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.42 ' HB3' ' CD ' ' A' ' 97' ' ' GLN . 29.6 mtm -93.95 176.72 6.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -124.61 -155.86 9.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.456 ' CD ' ' O ' ' A' ' 18' ' ' PRO . 53.5 Cg_endo -69.79 149.58 66.91 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 3.6 mtt -95.06 131.12 41.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.0 p -75.49 169.49 17.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -66.75 143.76 56.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.28 119.79 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.052 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 76.5 t -84.36 101.89 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -73.84 101.49 3.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -120.12 116.14 25.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -74.44 143.27 44.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 12.1 p -80.8 148.68 65.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 0.0 111.122 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -163.82 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.348 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -139.87 151.0 45.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.081 179.864 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 4.0 mm? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.807 0.337 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 m -53.41 154.21 6.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 111.158 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 98.68 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.734 2.289 . . . . 0.0 112.334 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 t -82.84 21.65 1.0 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 t -130.15 136.1 28.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.631 0.729 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 156.33 63.43 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.7 2.266 . . . . 0.0 112.292 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.09 51.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.627 2.218 . . . . 0.0 112.368 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.8 -176.49 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 56.19 30.43 16.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.9 t -66.98 106.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.3 p -132.76 146.59 51.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.155 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.521 HG13 ' CG ' ' A' ' 113' ' ' PHE . 61.6 t -132.6 106.43 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.6 m -112.71 165.52 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -94.62 153.2 17.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 15.5 tptp -73.7 145.9 44.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 10.4 tt0 -82.6 105.92 14.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.74 -42.12 2.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -109.08 110.89 60.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -33.27 16.5 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.644 2.229 . . . . 0.0 112.306 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -73.6 -10.48 59.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.465 HG23 ' N ' ' A' ' 37' ' ' ILE . 96.7 m -111.17 143.22 42.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.465 ' N ' HG23 ' A' ' 36' ' ' THR . 19.2 pt -142.35 162.61 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mp -122.0 138.49 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.4 t -126.9 127.9 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -116.94 166.67 11.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.454 ' CZ3' HD13 ' A' ' 56' ' ' ILE . 45.8 p90 -173.4 178.99 2.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -139.48 155.54 71.86 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.82 63.7 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 123.18 9.86 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.343 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -39.94 -33.57 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -60.44 -58.35 8.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 37.89 51.41 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' ALA . 97.6 m-20 -36.53 -29.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -146.42 166.43 28.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -55.1 108.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.1 mm -62.64 111.79 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.6 p -71.45 -39.35 71.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -175.83 -156.41 14.86 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.529 ' N ' HH12 ' A' ' 99' ' ' ARG . 0.2 OUTLIER -152.82 148.72 27.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.948 -179.84 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.66 ' N ' HH22 ' A' ' 99' ' ' ARG . 26.0 mt -123.44 144.89 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.454 HD13 ' CZ3' ' A' ' 41' ' ' TRP . 96.0 mt -115.81 127.53 73.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -108.84 123.38 48.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.57 ' C ' ' CD1' ' A' ' 58' ' ' TYR . 1.1 p90 -144.14 141.23 29.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.5 t -151.87 -176.37 5.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.1 p -96.68 27.23 4.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 62' ' ' VAL . 34.6 t0 -164.3 152.93 13.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.477 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 10.5 p -104.67 -15.81 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -94.03 -13.24 27.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.18 157.13 10.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 67' ' ' HIS . 12.3 mt-10 -83.26 135.55 34.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' GLU . 9.0 tp -34.86 -31.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' GLU . 1.8 m170 -54.03 -49.99 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.81 -34.98 79.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -54.04 121.35 7.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.548 HG11 ' CE2' ' A' ' 58' ' ' TYR . 3.6 p -57.5 154.46 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 95.7 mt -111.71 107.24 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -107.03 86.16 2.3 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.618 0.723 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 132.35 23.17 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.1 t -99.93 99.9 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.4 m -60.18 148.38 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.93 171.75 4.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 78' ' ' ARG . 3.4 p-10 -62.45 -10.34 11.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 77' ' ' ASN . 8.6 ttm-85 -34.32 145.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.451 ' O ' ' CE3' ' A' ' 41' ' ' TRP . 10.0 mt -122.57 15.3 10.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.7 t -130.56 152.77 49.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.186 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -144.49 145.76 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -112.74 116.02 29.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.465 HG21 ' CD1' ' A' ' 86' ' ' LEU . 78.6 mt -110.53 104.94 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -104.21 179.26 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 61.35 48.03 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.465 ' CD1' HG21 ' A' ' 83' ' ' ILE . 84.9 mt -106.1 178.84 4.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.7 m -102.22 146.08 28.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.2 mt -91.45 173.97 7.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.0 t70 38.75 41.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.5 m -146.76 120.46 5.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.593 0.711 . . . . 0.0 111.143 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.48 3.09 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -102.66 131.86 49.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.972 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -94.82 117.53 30.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -110.31 150.95 28.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -141.08 145.28 35.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 97' ' ' GLN . 32.3 mt -119.56 160.01 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.441 ' N ' HG22 ' A' ' 96' ' ' ILE . 2.0 pt20 -157.76 176.34 12.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.58 140.9 31.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.66 HH22 ' N ' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -138.3 154.23 49.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 99' ' ' ARG . 0.8 OUTLIER -128.25 -176.13 3.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.8 t -43.01 -25.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -81.51 -75.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -165.81 -159.68 12.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.3 mtm -92.56 177.45 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -123.43 -160.35 10.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 143.46 51.14 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 17.6 mmt -73.17 144.94 46.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.8 p -81.63 177.27 9.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -73.23 131.39 41.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.08 115.96 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 86.4 t -89.07 102.26 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -81.08 105.7 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.521 ' CG ' HG13 ' A' ' 27' ' ' VAL . 9.8 t80 -121.88 117.02 25.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -71.94 137.47 47.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.4 p -76.3 145.91 77.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.568 0.699 . . . . 0.0 111.171 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -163.49 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -138.55 161.84 36.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.066 179.873 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.8 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.825 0.345 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -44.93 152.67 0.54 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.573 0.701 . . . . 0.0 111.168 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 98.55 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.676 2.25 . . . . 0.0 112.317 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 t -83.21 19.55 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.6 t -133.11 143.97 50.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 161.18 46.92 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -175.51 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -140.75 175.13 9.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 47.21 36.21 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.414 ' CG1' HD11 ' A' ' 96' ' ' ILE . 73.4 t -71.66 105.54 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -125.57 152.98 44.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.7 t -131.7 111.24 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -112.91 173.3 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 t -104.97 167.24 9.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 15.9 tptp -85.96 149.02 25.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.472 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 15.0 tt0 -78.67 100.95 7.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.9 -42.68 1.9 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -105.0 109.19 62.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.708 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -47.88 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -57.01 -16.98 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 94.6 m -101.9 136.42 41.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.3 pt -136.05 156.93 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.1 mp -121.57 118.55 56.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.3 t -95.34 120.56 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.3 OUTLIER -110.09 159.04 17.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.42 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 38.3 p90 -174.46 -179.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -139.84 156.72 70.65 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 143.74 51.92 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 163.09 39.58 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.3 t -64.54 -40.1 94.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' ALA . 28.1 mm-40 -43.27 -64.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 34.49 45.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -75.79 53.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 150.73 133.8 2.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -41.24 128.94 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.309 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.453 HG21 ' N ' ' A' ' 52' ' ' THR . 44.5 mm -79.98 142.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.453 ' N ' HG21 ' A' ' 51' ' ' ILE . 34.4 p -116.65 -37.47 3.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.61 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -172.99 -163.58 26.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 53' ' ' GLY . 4.0 m-85 -147.62 163.18 37.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.45 ' CD1' ' HE2' ' A' ' 104' ' ' MET . 39.5 mt -131.15 124.24 55.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.193 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.406 ' CD1' ' CB ' ' A' ' 81' ' ' HIS . 27.3 mt -106.94 140.81 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.436 ' CZ ' HG23 ' A' ' 55' ' ' ILE . 14.4 m-85 -125.05 129.1 49.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.533 ' CE2' HG12 ' A' ' 70' ' ' VAL . 4.7 p90 -140.11 151.42 45.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.939 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 t -172.72 157.12 3.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.495 HG21 ' CZ ' ' A' ' 92' ' ' TYR . 82.4 p -84.78 47.33 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.135 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -171.89 118.47 0.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.2 p -80.05 -28.2 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -98.39 27.41 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.84 139.54 31.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 68' ' ' ASP . 2.7 mm-40 -49.36 134.87 18.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.9 tp -41.61 -38.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.532 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.7 p-80 -61.99 -38.72 89.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.532 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 38.1 t70 -57.48 -33.4 67.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -66.57 138.61 57.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.533 HG12 ' CE2' ' A' ' 58' ' ' TYR . 9.5 p -73.77 151.76 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.42 ' C ' ' OE1' ' A' ' 72' ' ' GLU . 89.4 mt -103.23 111.8 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.462 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 1.1 mp0 -109.2 83.54 2.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.638 0.732 . . . . 0.0 110.932 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 121.79 8.48 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 97.8 t -93.52 104.98 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 36.0 m -59.91 159.78 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.04 172.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -79.29 66.46 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.47 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 3.6 tpt180 -99.0 143.84 28.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.42 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 76.3 mt -109.63 1.07 19.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.6 t -131.64 147.49 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.406 ' CB ' ' CD1' ' A' ' 56' ' ' ILE . 21.8 t60 -132.89 152.91 51.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -123.48 127.53 48.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.0 mt -126.75 118.23 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.5 ' O ' ' CG ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -109.94 -174.09 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 84' ' ' GLN . 10.9 pt-20 46.53 55.05 8.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 32.8 mt -106.91 -175.34 2.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.6 m -104.39 132.79 50.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.0 mt -90.94 177.75 6.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 65.6 t0 38.21 39.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 53.2 m -148.44 134.98 10.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.707 . . . . 0.0 111.138 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 128.75 16.49 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.382 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.495 ' CZ ' HG21 ' A' ' 60' ' ' THR . 8.3 m-85 -130.75 129.82 42.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -102.9 135.7 44.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -121.17 151.78 39.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -142.32 130.46 22.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 97' ' ' GLN . 51.2 mt -103.35 143.44 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.443 ' N ' HG22 ' A' ' 96' ' ' ILE . 18.1 tt0 -139.72 137.98 35.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -101.72 141.71 34.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.417 ' CB ' ' HA ' ' A' ' 104' ' ' MET . 11.2 ptt85 -144.12 148.18 34.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 100' ' ' ASN . 4.5 p30 -127.11 -176.48 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.4 t -40.3 -39.53 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -66.81 -75.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -164.74 -161.37 13.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.45 ' HE2' ' CD1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -97.32 -179.45 4.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.313 . . . . 0.0 110.918 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -130.76 -158.54 9.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 173.38 11.01 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.761 2.307 . . . . 0.0 112.364 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -111.47 153.31 26.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.4 p -84.68 157.6 21.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -48.84 143.33 5.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -55.84 106.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 83.1 t -82.03 103.6 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -77.09 119.26 20.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -131.61 108.78 9.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -70.98 125.44 26.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.7 p -66.93 142.99 97.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 0.0 111.109 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -163.54 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -138.34 158.3 44.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.814 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -149.93 176.09 11.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.887 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -116.48 124.78 50.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.63 151.84 7.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -85.12 178.19 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.6 m -132.74 147.75 52.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.63 -79.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.4 m -84.99 86.01 7.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.79 0.329 . . . . 0.0 111.137 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.59 46.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -89.23 58.38 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.23 -160.69 28.42 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.33 148.91 21.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.378 . . . . 0.0 111.101 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.5 p -86.62 -17.9 32.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -162.31 151.83 15.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -116.34 154.24 30.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.446 HD21 ' N ' ' A' ' 16' ' ' LEU . 2.5 mm? -125.7 111.57 15.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.402 HG13 ' CB ' ' A' ' 102' ' ' LYS . 12.5 m -47.29 153.46 0.93 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.614 0.721 . . . . 0.0 111.151 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 93.56 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.752 2.301 . . . . 0.0 112.374 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.3 t -83.8 30.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.4 p -136.85 141.99 37.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 154.59 67.61 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.375 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.84 26.25 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.665 2.244 . . . . 0.0 112.346 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -119.96 169.94 9.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 58.26 45.69 16.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.1 t -79.73 107.16 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.2 p -130.39 145.36 51.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.522 HG12 ' CD2' ' A' ' 113' ' ' PHE . 55.8 t -132.3 105.02 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.5 m -106.49 176.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.5 m -114.87 140.42 48.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 16.1 tptt -55.86 151.48 11.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.486 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 27.6 tt0 -84.58 101.18 11.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.87 -31.41 8.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -109.03 103.19 51.52 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.562 0.696 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -37.02 9.59 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.307 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -69.67 -8.77 50.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.466 HG22 ' N ' ' A' ' 37' ' ' ILE . 86.6 m -113.2 141.18 47.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.466 ' N ' HG22 ' A' ' 36' ' ' THR . 7.4 pt -144.04 153.47 15.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.403 HD13 ' N ' ' A' ' 38' ' ' ILE . 4.6 mp -115.39 133.89 60.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.403 ' CG1' HD12 ' A' ' 96' ' ' ILE . 99.2 t -117.74 116.17 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -105.48 157.71 17.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.467 ' CE2' ' HA ' ' A' ' 79' ' ' LEU . 36.4 p90 -163.04 175.53 11.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -140.6 155.28 69.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.575 0.702 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 144.92 55.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.633 2.222 . . . . 0.0 112.37 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 152.99 69.68 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.357 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -64.81 -45.4 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' ALA . 9.2 mt-10 -45.9 -58.51 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 34.66 52.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' ALA . 90.4 m-20 -34.43 -34.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -135.04 -131.31 3.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.78 -176.25 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.429 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 48.7 mm -129.15 148.0 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.5 p -130.65 -30.41 1.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.152 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.46 -176.26 38.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.54 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.429 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 55.4 m-85 -141.96 161.7 37.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.842 0.353 . . . . 0.0 110.936 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 93.6 mt -136.34 135.4 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.471 HG21 ' N ' ' A' ' 57' ' ' TYR . 87.8 mt -117.89 143.02 29.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.471 ' N ' HG21 ' A' ' 56' ' ' ILE . 55.5 m-85 -118.76 137.63 53.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.612 ' CE2' ' CG1' ' A' ' 70' ' ' VAL . 3.7 p90 -149.88 140.5 22.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.0 t -163.58 140.06 6.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.1 p -48.5 -33.86 10.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -95.89 161.94 13.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.554 ' HB ' ' CE1' ' A' ' 93' ' ' TYR . 7.1 p -116.1 -38.43 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -77.68 -5.25 49.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.32 153.89 29.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 67' ' ' HIS . 23.2 mt-10 -77.89 135.53 37.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 65' ' ' GLU . 9.1 tp -34.92 -31.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' GLU . 1.3 m170 -53.03 -50.99 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -65.53 -35.71 81.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.57 ' CZ3' ' HE2' ' A' ' 95' ' ' LYS . 36.9 m95 -54.68 134.02 47.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.612 ' CG1' ' CE2' ' A' ' 58' ' ' TYR . 8.7 p -76.11 150.64 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 79.5 mt -107.49 112.51 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -107.12 84.18 1.58 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.686 0.755 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 130.33 19.09 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.673 2.249 . . . . 0.0 112.306 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 99.0 t -100.36 136.52 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.41 ' N ' HG13 ' A' ' 74' ' ' VAL . 35.9 m -100.92 163.4 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.18 32.72 84.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.0 p30 39.03 43.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.326 . . . . 0.0 110.905 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.462 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 1.1 tpt180 -73.77 149.01 42.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.467 ' HA ' ' CE2' ' A' ' 41' ' ' TRP . 35.9 mt -104.74 5.52 33.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 t -137.45 149.69 47.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -143.61 148.07 35.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.828 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.452 ' CD ' ' N ' ' A' ' 82' ' ' GLN . 12.2 mp0 -119.56 133.97 55.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.8 mt -124.27 114.97 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -108.1 175.11 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 61.44 48.13 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.3 mt -106.54 179.26 4.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.6 m -95.37 148.47 22.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.154 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.403 ' HB3' ' CE ' ' A' ' 117' ' ' LYS . 53.6 mt -97.98 168.76 10.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.1 t70 39.21 47.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.8 m -145.42 129.91 8.9 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.539 0.685 . . . . 0.0 111.164 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 108.5 2.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -110.08 130.82 55.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.554 ' CE1' ' HB ' ' A' ' 62' ' ' VAL . 5.7 m-85 -101.24 124.68 47.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.463 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 56.9 m-85 -113.85 151.73 31.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.57 ' HE2' ' CZ3' ' A' ' 69' ' ' TRP . 44.5 mtmt -139.93 140.31 36.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 97' ' ' GLN . 9.1 mt -120.23 141.86 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.464 ' NE2' ' HB3' ' A' ' 104' ' ' MET . 1.8 pt20 -138.46 170.3 16.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -125.84 126.18 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -124.66 143.91 50.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.6 p30 -126.67 -177.33 3.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.3 t -38.38 -41.07 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.804 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.402 ' CB ' HG13 ' A' ' 17' ' ' VAL . 21.8 mmmt -68.06 -73.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.54 -149.57 6.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.464 ' HB3' ' NE2' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -108.43 172.07 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 110.905 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -123.51 -160.56 10.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 143.32 50.59 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 8.1 mtt -85.97 149.02 25.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.4 p -76.63 169.43 18.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -57.05 147.34 24.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.04 114.47 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.68 105.6 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.075 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -82.33 112.22 19.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.522 ' CD2' HG12 ' A' ' 27' ' ' VAL . 30.2 t80 -127.81 109.29 11.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.2 ttp-105 -70.9 117.68 12.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.4 p -55.74 148.18 37.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.624 0.726 . . . . 0.0 111.089 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.403 ' CE ' ' HB3' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -142.78 147.46 35.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.77 115.4 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.5 t -111.62 94.82 5.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 98.94 145.91 19.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -11.65 31.2 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.633 2.222 . . . . 0.0 112.351 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.1 t -89.72 140.35 29.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.828 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 23.2 t -173.32 131.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -87.47 -56.33 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.867 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t 56.71 42.23 27.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.95 174.47 16.46 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -91.74 88.75 6.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.87 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.2 m -141.31 122.98 15.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.31 116.23 4.97 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 m -80.76 107.53 13.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.776 0.322 . . . . 0.0 111.185 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.67 47.92 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.478 ' CG ' ' N ' ' A' ' 11' ' ' GLY . 67.0 t60 -171.91 162.66 6.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.478 ' N ' ' CG ' ' A' ' 10' ' ' HIS . . . -90.86 115.99 4.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.477 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' GLY . 3.4 m -35.72 134.66 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 111.114 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.4 p -82.06 -10.93 59.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -174.85 108.75 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' C ' HD23 ' A' ' 16' ' ' LEU . 17.1 mm-40 -59.23 165.63 2.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 16' ' ' LEU . 2.8 mm? -124.63 110.71 14.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -51.22 153.42 3.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.665 0.745 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 94.82 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 p -76.65 7.82 4.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.4 t -116.13 137.69 23.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.67 0.747 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.28 31.5 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.366 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 164.83 33.15 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.288 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -126.87 179.75 5.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 t0 49.92 36.7 12.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.9 t -68.18 110.24 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.6 p -138.42 148.06 44.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.9 t -131.23 111.18 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.9 m -110.17 164.67 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.4 p -106.8 153.35 22.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 16.8 tptm -84.85 150.51 24.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 32.8 tt0 -86.06 -61.8 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -45.73 -30.28 3.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.449 ' CE ' ' HB2' ' A' ' 35' ' ' LYS . 1.1 tmtm? -143.53 130.22 10.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.55 0.691 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -51.61 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.403 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' HB2' ' CE ' ' A' ' 33' ' ' LYS . 37.4 mttp -59.08 -19.13 41.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.5 m -90.09 129.9 36.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.077 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.6 pt -132.51 162.14 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.1 mp -128.03 120.49 53.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 65.4 t -99.0 117.57 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -103.28 151.3 22.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.562 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 23.8 p90 -168.29 177.79 5.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -144.16 157.64 56.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.595 0.712 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 153.2 69.17 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.383 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 146.06 59.25 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.4 t -63.91 -23.08 67.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -97.3 58.71 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 48' ' ' ASN . . . -81.66 60.49 4.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 47' ' ' ALA . 20.1 m-20 -34.24 -36.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -125.1 -164.65 11.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -101.93 132.39 47.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.725 0.298 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.5 mm -82.82 137.28 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.157 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 p -109.92 -31.07 7.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.471 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -170.34 -179.81 42.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 53' ' ' GLY . 2.5 m-85 -141.09 161.43 37.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.821 0.344 . . . . 0.0 110.957 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.449 ' HB ' ' CZ ' ' A' ' 99' ' ' ARG . 46.3 mt -138.38 117.45 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.562 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 26.3 mt -95.66 147.32 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -129.81 118.85 22.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.569 ' CE2' HG11 ' A' ' 70' ' ' VAL . 12.2 p90 -120.47 148.48 43.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.514 ' HB2' ' CD2' ' A' ' 69' ' ' TRP . 1.7 m -171.94 146.8 2.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.1 p -70.5 -14.87 62.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -100.55 120.63 40.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.464 HG12 ' ND2' ' A' ' 63' ' ' ASN . 9.9 p -87.05 2.13 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.464 ' ND2' HG12 ' A' ' 62' ' ' VAL . 46.2 m-80 -121.37 -17.85 7.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.99 140.68 4.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 67' ' ' HIS . 6.2 mp0 -42.71 129.26 4.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.1 tp -42.82 -31.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 65' ' ' GLU . 2.0 p80 -83.58 -29.87 27.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' GLU . 8.8 m-20 -59.11 -27.11 65.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.514 ' CD2' ' HB2' ' A' ' 59' ' ' SER . 16.9 m95 -62.7 155.14 27.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.569 HG11 ' CE2' ' A' ' 58' ' ' TYR . 13.5 p -74.51 147.0 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.432 ' C ' ' OE1' ' A' ' 72' ' ' GLU . 83.9 mt -99.02 120.19 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.432 ' OE1' ' C ' ' A' ' 71' ' ' ILE . 4.7 mp0 -124.57 85.12 56.63 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.671 0.748 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 148.59 65.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.315 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 60.4 t -119.97 119.0 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.3 m -79.3 164.11 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 77' ' ' ASN . . . 51.17 35.03 33.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' GLY . 0.3 OUTLIER 34.7 54.7 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.463 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 4.3 tpt180 -75.54 123.09 24.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.9 mt -75.25 -4.02 36.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 t -137.87 138.47 39.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -126.1 158.54 35.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -120.21 97.59 5.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.5 mt -98.77 120.02 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -123.91 -175.78 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 62.18 50.32 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 30.9 mt -118.57 174.19 6.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 22.0 m -86.49 146.72 26.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.6 mt -96.93 170.88 8.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 21.1 t0 40.48 43.87 1.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 93.3 m -143.45 132.97 11.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.642 0.734 . . . . 0.0 111.133 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 108.55 2.1 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -109.79 145.16 37.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -115.11 141.67 47.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -128.18 153.88 46.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -138.67 131.36 29.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.1 mt -114.54 144.66 21.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 33.4 tt0 -153.56 138.25 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.61 144.33 29.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.449 ' CZ ' ' HB ' ' A' ' 55' ' ' ILE . 11.6 ptp180 -149.52 157.99 43.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -125.42 -175.98 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.7 t -49.28 -32.42 10.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -71.27 -68.5 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.57 -169.76 32.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.439 ' CG ' ' HD3' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -103.01 167.57 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 110.883 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.496 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -113.09 -155.82 12.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.86 49.07 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.467 ' SD ' ' NE2' ' A' ' 97' ' ' GLN . 11.4 mmt -82.77 153.13 25.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 85.4 p -84.87 162.16 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 110' ' ' ALA . 7.6 pt-20 -68.62 124.53 23.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 109' ' ' GLU . . . -35.07 144.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.0 t -117.76 102.0 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -73.35 99.87 3.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -115.45 113.53 23.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -70.99 131.75 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.2 p -70.01 149.61 96.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.593 0.711 . . . . 0.0 111.131 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -163.72 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -142.1 147.02 36.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.55 77.24 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 t -117.85 -69.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 161.7 77.16 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 96.18 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 2.253 . . . . 0.0 112.365 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 123' ' ' SER . 3.6 t -70.59 116.91 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 122' ' ' SER . 32.2 t -35.65 -51.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -167.55 107.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -162.54 129.31 3.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.03 160.28 23.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 t -171.35 162.03 6.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.858 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -104.65 154.52 19.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.59 124.42 0.9 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.0 p -51.71 138.36 23.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 111.131 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.45 163.34 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -92.4 117.56 30.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -137.88 129.06 4.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.532 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.26 53.6 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 111.155 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.9 m -100.22 116.74 32.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.436 ' CD1' ' O ' ' A' ' 14' ' ' PHE . 29.8 p90 -68.09 116.61 8.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.475 ' HB3' ' CG ' ' A' ' 102' ' ' LYS . 4.7 tt0 -55.31 -177.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 mt -138.62 115.36 10.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.456 HG12 ' CB ' ' A' ' 102' ' ' LYS . 20.4 m -52.05 152.99 5.05 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.629 0.728 . . . . 0.0 111.109 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 100.79 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.8 t -85.46 26.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 m -136.27 134.63 20.14 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.27 38.87 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.32 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.457 ' HG3' ' CG2' ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.77 174.39 9.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.71 -176.54 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 39.8 54.01 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 t -87.76 109.73 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.9 p -128.42 145.41 51.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 43.2 t -130.02 109.43 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.5 m -115.9 166.63 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 p -103.5 155.87 18.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -91.68 143.56 26.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -73.46 -65.92 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -37.92 -37.92 0.47 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.441 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HE2' ' CG ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -143.28 133.54 12.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.562 0.696 . . . . 0.0 110.886 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -51.09 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.419 ' CG ' ' HE2' ' A' ' 33' ' ' LYS . 24.6 mttm -52.88 -35.9 58.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.9 m -73.22 130.97 41.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.462 HD11 ' CE2' ' A' ' 94' ' ' PHE . 6.8 pt -137.17 153.64 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.458 ' N ' HD13 ' A' ' 38' ' ' ILE . 3.5 mp -112.85 134.3 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.1 t -121.94 108.97 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -99.67 156.33 17.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.557 ' CZ3' HD12 ' A' ' 56' ' ' ILE . 35.7 p90 -165.83 179.02 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -141.99 153.64 64.14 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.642 0.734 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 147.51 62.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.242 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 132.49 23.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.2 m -48.63 -31.21 6.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -85.69 73.27 10.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -85.79 59.03 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' ALA . 72.5 m-80 -34.67 -32.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -141.06 171.9 23.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 100' ' ' ASN . 18.3 tttt -72.29 132.59 44.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.754 0.312 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mm -81.14 140.54 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.8 p -119.46 -14.55 9.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.9 173.85 38.99 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.443 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -131.15 158.48 40.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 67.4 mt -135.52 131.01 50.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.152 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.557 HD12 ' CZ3' ' A' ' 41' ' ' TRP . 91.0 mt -109.76 140.04 30.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -126.17 115.1 19.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.516 ' CZ ' HG12 ' A' ' 70' ' ' VAL . 2.4 p90 -125.5 147.09 49.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.483 ' HB2' ' CD2' ' A' ' 69' ' ' TRP . 2.1 m -169.86 152.76 4.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.1 p -64.9 -40.27 94.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.118 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -80.28 137.07 36.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.0 p -100.84 1.37 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -116.21 -24.18 8.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.61 139.94 3.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . 2.8 mp0 -47.78 130.09 14.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.2 tp -38.11 -41.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.566 ' CD2' ' HB3' ' A' ' 65' ' ' GLU . 13.2 p80 -65.33 -40.64 93.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.53 ' N ' ' ND1' ' A' ' 67' ' ' HIS . 28.1 t70 -52.3 -29.99 26.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.483 ' CD2' ' HB2' ' A' ' 59' ' ' SER . 12.2 m95 -64.66 160.71 19.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.516 HG12 ' CZ ' ' A' ' 58' ' ' TYR . 4.3 p -79.35 144.12 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 80.3 mt -100.51 106.11 18.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -107.87 84.85 2.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 150.4 68.3 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.371 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.5 t -119.36 121.38 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.8 m -76.32 155.72 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.28 169.42 0.13 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -73.21 66.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -106.55 154.39 20.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.503 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 4.3 mt -124.61 8.04 8.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 t -131.46 138.25 48.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -132.89 148.03 52.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -112.07 97.81 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.415 HG21 ' CD1' ' A' ' 86' ' ' LEU . 72.4 mt -89.58 135.13 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -126.56 -179.85 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 62.14 44.7 7.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.415 ' CD1' HG21 ' A' ' 83' ' ' ILE . 35.2 mt -109.75 153.38 24.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.43 146.47 34.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 mt -97.7 168.69 10.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.2 t70 47.66 39.34 9.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -145.73 129.75 8.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.528 0.68 . . . . 0.0 111.154 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 111.59 2.85 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -107.37 150.29 26.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -114.77 125.1 53.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.462 ' CE2' HD11 ' A' ' 37' ' ' ILE . 56.2 m-85 -113.25 150.93 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -135.99 139.06 42.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.457 ' CG2' ' HG3' ' A' ' 22' ' ' PRO . 10.6 mt -122.49 141.99 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.475 ' NE2' ' HB3' ' A' ' 104' ' ' MET . 0.0 OUTLIER -156.98 146.34 20.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.465 ' N ' ' HG2' ' A' ' 97' ' ' GLN . . . -98.74 163.22 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -148.77 143.08 26.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 7.8 p-10 -127.85 -177.69 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.2 m -37.58 -40.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.475 ' CG ' ' HB3' ' A' ' 15' ' ' GLU . 7.1 mmpt? -65.29 -75.23 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -171.68 -154.76 10.19 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.475 ' HB3' ' NE2' ' A' ' 97' ' ' GLN . 33.5 mtm -95.69 165.73 12.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -109.31 -168.01 20.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 138.42 37.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.357 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 13.7 mmt -66.07 131.85 47.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.3 p -65.22 163.79 14.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.14 120.61 9.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -43.36 125.28 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.8 t -99.6 113.7 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -82.58 110.81 18.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -128.27 116.04 19.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -73.8 127.84 33.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.6 p -63.9 149.49 93.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.615 0.722 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.47 146.34 36.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.42 138.57 51.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.0 t -104.33 161.26 14.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.869 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -101.67 -78.91 1.36 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 111.92 2.95 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.0 m -71.52 124.25 24.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 m -158.8 106.72 1.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.5 p -97.05 175.36 6.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 0.0 110.825 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 p -48.17 121.3 4.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.63 124.5 1.39 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -101.2 119.93 39.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.876 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 t -106.97 124.24 49.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.46 120.51 0.52 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.2 m -77.88 141.2 39.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.78 0.324 . . . . 0.0 111.138 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 10' ' ' HIS . . . -91.2 140.15 30.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' ALA . 31.4 m-70 -38.04 130.73 1.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.94 103.41 0.17 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.4 p -66.48 95.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 111.169 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.8 p 40.27 46.86 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -104.05 156.65 17.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 1.6 tp10 -171.3 159.6 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 16' ' ' LEU . 6.1 mp -119.85 112.27 19.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.466 HG13 ' CB ' ' A' ' 102' ' ' LYS . 10.5 m -45.86 154.01 0.6 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 111.125 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.456 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 54.3 Cg_endo -69.75 106.59 1.69 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.1 p -85.12 22.44 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.9 m -135.5 139.37 31.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.687 0.756 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 168.03 22.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 178.09 4.93 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -137.3 -175.94 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 45.46 33.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.4 t -67.59 114.48 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.1 p -140.45 145.58 37.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.193 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 t -129.55 118.21 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -122.93 166.64 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.8 p -116.61 129.71 56.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 tptp -47.53 152.23 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -88.79 -25.4 22.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -98.25 1.03 58.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -159.18 113.41 1.57 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.537 0.684 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -28.1 25.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.257 . . . . 0.0 112.342 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -76.53 -21.65 55.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.5 m -91.52 146.37 23.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.595 ' CD1' ' CZ ' ' A' ' 94' ' ' PHE . 19.3 pt -146.12 150.92 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.78 138.93 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.0 t -123.09 111.56 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -103.1 152.95 20.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.55 ' CZ3' HD13 ' A' ' 56' ' ' ILE . 37.8 p90 -165.43 -175.64 3.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.44 ' NE2' ' HD2' ' A' ' 43' ' ' PRO . 4.5 mm100 -140.03 159.97 62.22 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.547 0.689 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.44 ' HD2' ' NE2' ' A' ' 42' ' ' GLN . 53.6 Cg_endo -69.83 159.73 52.28 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.645 2.23 . . . . 0.0 112.308 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 149.33 67.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.282 . . . . 0.0 112.357 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.2 t -67.11 -45.76 76.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -57.51 -63.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 37.71 51.11 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -41.5 -25.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -124.02 -154.38 8.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.517 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.75 126.0 54.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.9 mm -69.38 146.61 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.7 p -124.51 -34.57 2.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.33 176.08 39.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.441 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.564 ' CE1' HD22 ' A' ' 79' ' ' LEU . 78.9 m-85 -134.83 158.3 44.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.8 mt -135.22 129.18 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.55 HD13 ' CZ3' ' A' ' 41' ' ' TRP . 89.5 mt -108.43 142.46 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.407 ' N ' HG22 ' A' ' 56' ' ' ILE . 19.4 m-85 -127.53 125.63 40.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.543 ' CE2' HG11 ' A' ' 70' ' ' VAL . 1.9 p90 -140.16 156.1 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -172.25 173.89 4.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.2 p -87.92 32.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -161.11 154.33 21.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.437 ' HB ' ' CE2' ' A' ' 93' ' ' TYR . 14.5 p -107.81 -23.93 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -97.27 -17.58 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.4 ' HB3' ' CG ' ' A' ' 68' ' ' ASP . . . -48.18 147.38 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 67' ' ' HIS . 10.6 mp0 -67.15 133.99 50.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.4 tp -39.16 -26.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.3 OUTLIER -55.15 -53.06 60.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.402 ' OD1' ' CD1' ' A' ' 69' ' ' TRP . 0.6 OUTLIER -62.21 -37.48 85.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.402 ' CD1' ' OD1' ' A' ' 68' ' ' ASP . 40.6 m95 -53.07 121.46 7.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.543 HG11 ' CE2' ' A' ' 58' ' ' TYR . 7.0 p -66.09 153.38 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 84.0 mt -106.54 114.02 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -115.31 86.51 14.65 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.672 0.749 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 142.28 47.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.5 t -108.13 106.36 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 m -62.25 161.61 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.64 178.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -80.92 57.13 2.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -102.23 139.94 37.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.564 HD22 ' CE1' ' A' ' 54' ' ' TYR . 8.9 mt -110.92 9.98 22.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -129.76 138.81 51.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -128.41 148.72 50.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -119.41 96.52 5.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 42.3 mt -92.47 139.65 17.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -128.76 -179.96 5.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 58.59 51.59 7.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 33.2 mt -109.77 146.37 35.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -73.01 131.8 42.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' ASP . 11.1 mt -81.87 177.76 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' LEU . 23.1 t0 36.27 45.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 97.0 m -148.7 136.24 10.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 111.134 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 123.3 9.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.722 2.281 . . . . 0.0 112.309 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -123.83 126.63 46.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.437 ' CE2' ' HB ' ' A' ' 62' ' ' VAL . 5.5 m-85 -103.05 120.66 41.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.595 ' CZ ' ' CD1' ' A' ' 37' ' ' ILE . 51.4 m-85 -105.68 155.14 19.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -144.11 135.49 25.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 97' ' ' GLN . 56.3 mt -108.61 147.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 2.6 tp-100 -145.85 132.39 19.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -103.1 123.75 47.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -123.64 148.73 46.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -127.18 -175.71 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.4 t -44.79 -21.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.467 ' HE3' ' N ' ' A' ' 15' ' ' GLU . 49.1 mmtt -85.23 -75.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.09 -150.3 6.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 46.1 mtm -97.32 167.51 10.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -116.57 -154.72 10.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.456 ' CD ' ' O ' ' A' ' 18' ' ' PRO . 53.7 Cg_endo -69.73 142.0 46.87 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 36.4 mtt -84.18 135.94 34.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 91.7 p -71.23 170.95 11.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.49 126.13 30.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -37.92 120.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.045 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.1 t -96.28 105.05 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -81.63 109.82 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -125.68 119.06 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm-85 -75.75 131.79 40.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.9 p -73.53 148.77 88.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 111.131 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -140.49 157.86 44.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -78.11 69.13 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.2 p -115.22 -50.83 2.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.93 133.82 44.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 175.32 8.27 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 30.0 p -93.38 -56.57 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.4 t -140.18 122.05 15.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.796 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -92.47 -48.73 6.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.388 . . . . 0.0 110.866 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -105.63 90.35 3.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.02 -107.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 t -154.11 147.12 24.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -145.19 170.34 16.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.49 -46.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.1 m -88.49 88.93 7.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 0.0 111.146 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.54 132.59 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -105.56 39.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 145.7 56.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' A' ' 12' ' ' THR . 25.1 m 47.74 30.15 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 111.135 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.9 p -86.05 115.52 23.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -119.13 155.5 31.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -135.52 164.39 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 2.3 mm? -122.91 110.45 15.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.4 m -52.25 153.04 5.33 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.729 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 96.89 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.8 p -79.78 6.26 11.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -118.97 141.25 29.86 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.699 0.762 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 169.56 18.59 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.732 2.288 . . . . 0.0 112.335 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -166.82 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -150.29 -179.64 7.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 44.65 48.6 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.0 t -77.21 116.08 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.3 p -136.68 142.02 43.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.6 t -131.33 106.84 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.1 m -105.72 -179.21 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -118.55 157.54 27.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 14.7 tptp -92.25 150.12 21.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 27.1 tt0 -90.55 -57.9 2.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.87 -16.3 3.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.05 119.64 2.76 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.552 0.691 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -35.55 12.47 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -77.72 10.32 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.5 m -119.48 144.58 46.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.495 HD13 ' CE2' ' A' ' 94' ' ' PHE . 9.9 pt -142.3 155.04 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 mp -118.94 124.24 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.1 t -108.11 125.41 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -116.51 161.27 19.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.55 ' CZ3' HD13 ' A' ' 56' ' ' ILE . 45.2 p90 -170.55 179.82 3.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -141.63 153.66 65.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 155.14 66.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.639 2.226 . . . . 0.0 112.31 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 140.13 42.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.242 . . . . 0.0 112.373 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -60.3 -32.46 71.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' ALA . 17.7 mt-10 -58.62 -57.19 14.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 35.87 52.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' ALA . 57.5 m-20 -35.65 -31.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -132.73 -104.14 0.89 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -145.5 176.05 9.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.494 HG23 ' CZ ' ' A' ' 54' ' ' TYR . 41.6 mm -129.8 146.32 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.3 p -127.27 -28.91 2.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.521 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -165.46 -175.67 36.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.521 ' CD1' ' C ' ' A' ' 53' ' ' GLY . 13.5 m-85 -146.86 175.38 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 110.921 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.454 ' CD1' ' SD ' ' A' ' 104' ' ' MET . 22.1 mt -140.89 134.68 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.55 HD13 ' CZ3' ' A' ' 41' ' ' TRP . 79.3 mt -113.83 130.78 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 3.5 m-85 -117.28 116.01 26.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.547 ' CE2' ' CG1' ' A' ' 70' ' ' VAL . 12.5 p90 -127.41 145.19 50.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.467 ' HB3' ' CD2' ' A' ' 69' ' ' TRP . 3.5 p -158.59 168.38 27.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.2 p -89.13 -14.8 35.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.423 ' O ' ' CZ2' ' A' ' 69' ' ' TRP . 0.5 OUTLIER -107.13 136.14 47.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.4 p -93.26 -10.49 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -109.62 -17.56 13.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.406 ' HB1' ' CB ' ' A' ' 61' ' ' ASP . . . -54.54 137.31 43.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -51.85 139.93 20.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.1 tp -54.29 -18.74 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 67' ' ' HIS . 1.4 p-80 -78.69 -25.56 44.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -78.46 -29.28 46.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.467 ' CD2' ' HB3' ' A' ' 59' ' ' SER . 11.2 m0 -61.73 159.65 13.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.547 ' CG1' ' CE2' ' A' ' 58' ' ' TYR . 4.5 p -82.87 153.83 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 98.8 mt -108.49 116.04 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -114.09 84.32 8.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 136.32 32.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.641 2.227 . . . . 0.0 112.395 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.8 t -104.33 121.01 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.2 m -77.67 169.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.82 -176.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -83.71 41.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -84.81 138.47 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.524 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 4.8 mt -111.01 10.71 22.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.5 t -136.04 146.04 46.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -136.77 164.86 27.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -129.18 109.75 11.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.537 HD13 ' CD2' ' A' ' 58' ' ' TYR . 84.9 mt -103.82 123.39 57.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -115.27 -176.23 2.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 62.51 38.84 12.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.4 mt -101.65 161.75 13.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.28 140.0 29.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.171 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 mt -84.88 172.41 11.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.1 t0 39.75 40.52 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.7 m -140.09 129.02 13.35 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 111.147 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 106.1 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -104.58 136.0 44.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -106.8 127.86 53.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.495 ' CE2' HD13 ' A' ' 37' ' ' ILE . 26.3 m-85 -116.84 154.72 30.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -141.02 135.58 31.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.459 HG22 ' N ' ' A' ' 97' ' ' GLN . 9.8 mt -115.13 143.12 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.459 ' N ' HG22 ' A' ' 96' ' ' ILE . 22.4 tt0 -146.78 149.22 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.64 150.26 23.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -152.32 149.27 28.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.8 p30 -127.11 175.95 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -47.18 -27.49 1.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -73.43 -71.98 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -159.12 -153.51 6.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.454 ' SD ' ' CD1' ' A' ' 55' ' ' ILE . 46.5 mtm -115.78 158.58 22.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.62 -160.89 22.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.407 ' C ' ' OE1' ' A' ' 97' ' ' GLN . 53.4 Cg_endo -69.72 155.34 66.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.738 2.292 . . . . 0.0 112.321 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 7.1 mtt -98.39 145.49 26.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 t -77.51 167.86 20.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.7 pm0 -67.46 151.65 47.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.35 108.97 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.9 t -82.54 102.05 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -79.79 130.23 35.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 114' ' ' ARG . 32.5 t80 -147.36 127.28 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.429 ' O ' ' CE1' ' A' ' 113' ' ' PHE . 54.7 ttm-85 -80.86 146.17 30.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.2 p -88.76 147.26 38.78 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 111.177 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -163.82 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -139.12 151.68 46.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.27 138.74 55.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 79.0 p -119.57 157.59 28.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -89.08 -173.22 46.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 160.22 50.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.5 p -99.17 152.7 19.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.7 t -165.62 108.95 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 p -53.23 158.01 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -174.94 165.78 3.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.19 -148.92 7.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.441 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 p -161.61 112.95 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -147.37 130.64 16.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.97 175.08 21.83 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.3 p -80.82 91.36 5.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 111.107 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.5 158.02 39.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.457 ' CD2' ' H ' ' A' ' 10' ' ' HIS . 6.2 p80 -74.07 87.37 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.79 79.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.8 p -46.16 -46.92 17.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.357 . . . . 0.0 111.169 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.0 m -66.22 128.25 35.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -119.31 128.53 54.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -141.83 156.9 45.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.3 mt -133.28 110.08 9.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 m -47.23 152.03 1.15 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 101.53 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.73 2.286 . . . . 0.0 112.329 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 p -81.88 12.37 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -130.4 139.1 34.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 166.81 26.4 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 166.16 28.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.238 . . . . 0.0 112.381 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -116.65 -177.26 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 40.42 48.65 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.5 t -80.24 111.03 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.7 p -139.08 151.77 47.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.13 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.9 t -130.37 107.01 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.8 m -104.11 177.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 m -116.72 150.95 37.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 17.2 tptp -85.63 149.55 25.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 38.1 tt0 -83.67 -67.14 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -39.04 -27.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -147.75 132.31 8.8 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.567 0.699 . . . . 0.0 110.918 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -51.99 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -59.08 -24.31 62.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.3 m -80.31 135.86 36.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.1 pt -136.99 168.47 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mp -135.13 116.94 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.8 t -94.84 113.76 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.47 139.58 34.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.542 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 30.9 p90 -158.84 171.77 19.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -135.67 160.72 66.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 154.5 67.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 153.29 68.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.31 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.7 t -62.55 -49.77 73.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' ALA . 3.3 mm-40 -46.0 -55.59 6.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 35.85 51.81 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -76.18 52.2 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 156.15 153.92 6.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.511 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -64.53 119.78 11.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.746 0.308 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.0 mm -72.42 131.28 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.7 p -101.26 -39.8 7.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -171.03 178.61 43.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.452 ' CE1' HD22 ' A' ' 79' ' ' LEU . 38.3 m-85 -131.78 157.21 44.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.38 . . . . 0.0 110.881 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.2 mt -123.22 146.16 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.419 HD12 ' CZ3' ' A' ' 41' ' ' TRP . 82.4 mt -126.39 132.02 70.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -119.52 128.7 54.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 2.5 p90 -142.29 137.3 30.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 t -158.34 140.22 13.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.0 p -49.26 -37.95 25.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.77 150.44 25.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.523 ' HB ' ' CE1' ' A' ' 93' ' ' TYR . 13.1 p -108.96 -21.94 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -108.24 29.22 7.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.45 135.57 41.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -48.05 134.21 14.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 67' ' ' HIS . 6.3 tp -45.55 -23.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.455 ' N ' HG22 ' A' ' 66' ' ' ILE . 3.3 m170 -57.94 -44.34 86.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.98 -36.41 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -54.24 133.9 44.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.502 HG13 ' CZ ' ' A' ' 58' ' ' TYR . 7.6 p -70.77 152.65 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 95.2 mt -105.44 113.04 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.435 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 1.0 OUTLIER -108.54 84.59 2.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.642 0.734 . . . . 0.0 110.886 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 134.06 27.07 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.386 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 43.4 t -100.52 138.1 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.6 m -105.61 170.64 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.52 35.53 66.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.448 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 77' ' ' ASN . 16.6 t30 40.45 36.94 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.453 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 29.8 ttt180 -73.66 144.12 45.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.542 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 82.0 mt -100.05 7.23 44.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.92 156.98 47.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -144.56 145.97 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -116.76 106.97 14.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 71.8 mt -101.12 131.15 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -119.5 -179.57 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 62.05 35.91 15.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.3 mt -97.17 156.3 16.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.9 m -76.18 147.25 38.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 89' ' ' ASP . 28.0 mt -98.57 171.04 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 88' ' ' LEU . 35.9 t70 37.54 38.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.9 m -138.86 135.13 17.43 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.608 0.718 . . . . 0.0 111.153 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 123.98 10.64 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.249 . . . . 0.0 112.384 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -128.46 136.97 51.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.523 ' CE1' ' HB ' ' A' ' 62' ' ' VAL . 16.3 m-85 -106.62 126.6 52.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -111.37 158.77 18.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -147.76 145.59 28.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 97' ' ' GLN . 6.5 mt -126.16 147.48 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 33.1 tt0 -152.41 149.84 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.406 ' N ' ' HG2' ' A' ' 97' ' ' GLN . . . -105.64 152.09 23.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -151.47 137.17 17.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 101' ' ' SER . 34.3 p30 -123.34 -177.66 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 100' ' ' ASN . 67.4 m -36.34 -45.44 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -62.9 -70.38 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -174.02 -151.41 8.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.438 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.87 173.95 6.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.48 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -119.21 -154.66 9.61 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 154.28 67.81 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 8.8 mmt -94.12 133.68 37.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.2 p -74.09 163.44 27.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -56.42 165.26 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.16 113.11 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.96 106.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -78.93 102.38 8.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -117.2 110.97 18.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -71.07 122.19 19.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.2 p -58.38 145.12 76.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.52 0.676 . . . . 0.0 111.182 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -163.87 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.707 2.272 . . . . 0.0 112.303 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.37 148.71 47.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.94 114.17 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.9 m -107.29 -179.98 4.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -140.2 68.61 0.48 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 122.17 8.86 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.4 t -58.63 148.35 29.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 t -96.78 115.15 26.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.525 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 t -62.92 162.28 11.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -155.44 136.98 14.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.793 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.56 -168.22 37.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.525 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -134.12 154.65 51.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -157.72 162.62 38.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.88 -134.35 2.84 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.7 p -93.54 170.91 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.728 0.299 . . . . 0.0 111.205 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.83 166.11 11.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -110.11 -50.52 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -143.94 118.45 1.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.7 p -89.34 42.68 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.378 . . . . 0.0 111.157 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.3 m -122.16 -56.34 1.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -86.88 141.59 28.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -133.85 179.63 6.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mt -138.43 118.07 13.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.3 m -58.36 150.76 52.56 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.67 0.748 . . . . 0.0 111.14 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 101.73 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -86.59 22.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.3 p -138.5 143.48 38.54 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.671 0.748 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 161.41 46.03 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 179.32 3.73 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -130.93 178.27 6.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t70 53.32 34.33 17.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 67.6 t -73.13 117.36 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.6 p -136.97 146.66 45.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.401 HG13 ' CG ' ' A' ' 113' ' ' PHE . 60.0 t -130.08 109.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.187 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 m -119.01 170.13 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.9 m -94.76 167.3 11.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -91.55 150.11 21.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -80.38 107.25 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.39 -46.97 1.08 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -114.46 123.24 32.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.55 0.69 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -46.35 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.724 2.283 . . . . 0.0 112.378 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -55.23 -43.39 74.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 m -71.56 129.93 39.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.554 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 8.0 pt -135.71 159.89 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.445 ' N ' HD13 ' A' ' 38' ' ' ILE . 5.0 mp -121.6 128.62 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.3 t -115.92 102.15 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -92.39 155.87 17.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.407 ' CD2' HG22 ' A' ' 96' ' ' ILE . 21.8 p90 -166.66 -176.6 3.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -147.78 159.09 41.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 149.55 66.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 149.4 66.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.282 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' GLU . 6.5 t -53.55 -53.01 57.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ALA . 64.8 mm-40 -36.04 -53.99 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 34.21 52.31 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -75.82 48.92 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 155.25 171.84 22.28 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -85.23 113.23 21.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.413 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 35.1 mm -67.17 140.66 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.9 p -111.1 -36.81 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -164.0 -164.17 18.57 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.545 ' N ' ' NH2' ' A' ' 99' ' ' ARG . 10.8 m-85 -154.34 143.75 21.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.962 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.509 HG21 ' CZ ' ' A' ' 57' ' ' TYR . 59.1 mt -112.16 137.52 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.9 mt -113.83 137.73 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.509 ' CZ ' HG21 ' A' ' 55' ' ' ILE . 9.0 m-85 -125.68 125.78 43.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.545 ' CE2' HG13 ' A' ' 70' ' ' VAL . 3.8 p90 -140.44 143.51 35.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -163.56 156.52 18.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.9 p -78.02 0.95 22.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -119.93 119.93 34.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.804 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.16 -32.21 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -90.12 14.15 13.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.26 143.32 28.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.07 134.77 56.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.0 tp -42.89 -35.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.646 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.5 p-80 -62.58 -40.38 96.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.646 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 9.9 t0 -62.31 -33.4 74.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -59.31 134.31 56.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.545 HG13 ' CE2' ' A' ' 58' ' ' TYR . 3.3 p -59.89 149.46 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.9 mt -106.08 116.01 48.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.19 85.4 18.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 140.24 41.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 75' ' ' VAL . 96.2 t -109.66 137.58 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.467 ' N ' HG12 ' A' ' 74' ' ' VAL . 35.5 m -104.84 162.89 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.83 34.98 91.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 37.19 54.6 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.464 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 2.2 tpt180 -85.17 137.76 32.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 90.9 mt -93.46 4.11 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.6 t -138.88 148.25 43.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -140.61 140.02 35.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -104.88 132.04 51.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.429 HG21 ' CD1' ' A' ' 86' ' ' LEU . 71.9 mt -131.79 126.13 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -126.09 -177.28 3.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 64.15 49.94 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.429 ' CD1' HG21 ' A' ' 83' ' ' ILE . 55.2 mt -119.05 171.27 8.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.22 154.53 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.7 mt -104.66 162.78 12.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.8 t70 47.93 45.14 18.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.9 m -143.06 133.18 12.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.6 0.714 . . . . 0.0 111.115 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 101.15 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -103.01 138.91 39.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.426 ' CE2' ' OE1' ' A' ' 112' ' ' GLN . 15.5 m-85 -109.07 136.96 47.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.554 ' CZ ' HD12 ' A' ' 37' ' ' ILE . 60.9 m-85 -122.13 160.13 25.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -145.75 149.9 35.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.407 HG22 ' CD2' ' A' ' 41' ' ' TRP . 11.0 mt -129.35 142.63 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 34.5 tt0 -139.08 148.04 42.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -116.12 140.72 49.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.545 ' NH2' ' N ' ' A' ' 54' ' ' TYR . 0.9 OUTLIER -138.52 150.48 46.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.872 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 102' ' ' LYS . 35.7 p30 -120.17 174.84 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.7 t -41.19 -24.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.8 OUTLIER -79.96 -71.93 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -165.07 -166.07 23.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.44 167.52 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.479 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -107.89 -158.19 20.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -164.15 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.249 . . . . 0.0 112.381 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.4 ' HE2' ' CZ ' ' A' ' 57' ' ' TYR . 20.7 mmt -117.2 139.67 50.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 109' ' ' GLU . 5.1 t -76.38 177.2 7.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.434 ' N ' ' OG ' ' A' ' 108' ' ' SER . 17.1 mt-10 -76.15 136.36 39.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.9 113.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.7 t -87.27 102.9 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.426 ' OE1' ' CE2' ' A' ' 93' ' ' TYR . 22.6 tt0 -77.67 120.95 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.401 ' CG ' HG13 ' A' ' 27' ' ' VAL . 48.0 t80 -134.99 118.86 17.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -71.7 125.93 28.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 18.6 p -67.47 151.46 97.14 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.715 . . . . 0.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.268 . . . . 0.0 112.37 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.52 151.13 41.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -78.85 44.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -39.1 135.85 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -67.49 -91.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 151.76 68.93 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.639 2.226 . . . . 0.0 112.355 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.1 p -79.82 171.82 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.4 t -73.75 106.54 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t 49.01 42.14 20.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.815 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 t -65.39 108.65 2.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.04 174.91 47.93 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 p -124.36 -46.95 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 m -108.7 177.05 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -177.34 91.81 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' GLY . 15.0 t 37.26 35.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.768 0.318 . . . . 0.0 111.12 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.63 154.82 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -83.39 43.72 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.31 -178.77 31.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.5 p -134.98 113.4 11.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 111.139 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.1 m -62.14 -51.57 67.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -40.26 130.07 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -107.86 164.67 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 mt -133.84 117.79 17.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 m -56.48 147.22 50.6 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.569 0.7 . . . . 0.0 111.185 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 108.2 2.02 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -88.51 15.76 7.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.2 t -122.04 136.27 26.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.694 0.759 . . . . 0.0 110.838 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 166.69 26.72 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.714 2.276 . . . . 0.0 112.365 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 164.74 33.35 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.27 . . . . 0.0 112.348 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HZ1' ' N ' ' A' ' 45' ' ' SER . 10.0 mtmm -127.02 177.38 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 51.91 42.45 30.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -72.55 107.6 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 p -127.88 139.61 52.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.5 t -129.99 113.25 25.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.77 168.81 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 t -108.89 144.68 36.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.448 ' HE2' ' CG2' ' A' ' 36' ' ' THR . 0.3 OUTLIER -55.34 151.85 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 27.3 tt0 -87.26 81.33 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 133.41 -25.05 3.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.11 111.26 26.79 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.531 0.681 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.429 ' CB ' ' HG2' ' A' ' 116' ' ' PRO . 53.9 Cg_endo -69.76 -40.88 4.8 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.64 2.227 . . . . 0.0 112.381 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -60.2 -16.34 32.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.448 ' CG2' ' HE2' ' A' ' 30' ' ' LYS . 76.6 m -106.29 136.12 46.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.495 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 23.0 pt -142.18 144.3 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.414 HD11 ' N ' ' A' ' 38' ' ' ILE . 4.4 mp -107.63 140.95 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.8 t -125.23 105.17 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -99.56 121.64 41.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.554 ' CE3' ' O ' ' A' ' 79' ' ' LEU . 42.2 p90 -129.65 179.12 6.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -134.44 154.75 79.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.606 0.717 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 153.23 69.44 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.721 2.28 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 150.05 67.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.427 ' N ' ' HZ1' ' A' ' 23' ' ' LYS . 7.0 t -63.16 -37.27 86.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.811 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -89.9 65.94 6.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -57.45 -45.07 85.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.08 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 40.21 25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . 167.33 155.36 9.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 tttp -72.55 110.45 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.781 0.324 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.3 mm -66.15 110.34 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.449 HG21 ' N ' ' A' ' 101' ' ' SER . 46.0 p -75.07 -41.91 57.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.627 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -167.23 -154.04 8.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.627 ' CD1' ' C ' ' A' ' 53' ' ' GLY . 2.3 m-85 -156.78 158.85 37.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.838 0.352 . . . . 0.0 110.925 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.8 mt -128.78 143.19 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 62.1 mt -117.22 135.67 56.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -123.91 130.83 53.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.556 ' CE1' HG11 ' A' ' 70' ' ' VAL . 13.0 p90 -147.71 157.53 43.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 t -167.65 167.73 13.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.6 p -84.6 32.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 62' ' ' VAL . 27.2 t0 -169.88 152.21 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.487 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 5.6 p -103.09 -7.4 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -100.25 -16.66 17.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.27 142.11 13.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.9 OUTLIER -60.24 131.71 51.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' GLU . 10.7 tp -37.21 -34.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.693 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.1 p-80 -66.15 -45.07 82.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.693 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 18.9 m-20 -56.21 -30.76 62.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.518 ' CZ3' ' HE2' ' A' ' 95' ' ' LYS . 22.3 m95 -62.11 136.06 57.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.556 HG11 ' CE1' ' A' ' 58' ' ' TYR . 11.8 p -68.85 151.25 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.47 ' N ' HG23 ' A' ' 70' ' ' VAL . 65.3 mt -108.92 113.09 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.441 ' OE1' ' C ' ' A' ' 71' ' ' ILE . 0.0 OUTLIER -107.51 85.46 2.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.89 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 121.41 8.1 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.359 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.5 t -95.16 125.28 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.1 m -78.07 164.63 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.53 -177.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -86.41 42.38 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -84.74 135.07 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.554 ' O ' ' CE3' ' A' ' 41' ' ' TRP . 4.7 mt -105.47 8.81 33.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -126.81 139.67 52.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -134.2 142.66 47.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -114.98 105.54 13.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.5 mt -100.17 132.46 45.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -123.78 -175.28 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 58.71 31.46 21.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.8 mt -92.09 159.59 15.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.1 m -77.79 167.52 21.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.1 mt -121.12 168.21 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.6 t70 47.14 33.99 2.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.812 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 94.0 m -142.59 131.43 11.77 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 121.46 8.16 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.368 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -119.42 130.84 55.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -101.3 125.09 47.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.495 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 65.1 m-85 -109.73 153.09 24.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.518 ' HE2' ' CZ3' ' A' ' 69' ' ' TRP . 25.8 mtmt -137.54 139.31 40.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 97' ' ' GLN . 12.9 mt -118.85 140.36 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.409 ' N ' HG22 ' A' ' 96' ' ' ILE . 20.8 tt0 -145.11 142.01 29.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -104.21 141.75 35.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.441 ' CB ' ' HG2' ' A' ' 104' ' ' MET . 19.0 ptt180 -144.91 148.63 34.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.71 -177.63 3.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.449 ' N ' HG21 ' A' ' 52' ' ' THR . 4.9 t -45.14 -42.04 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -60.26 -71.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -161.11 -152.16 6.51 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.441 ' HG2' ' CB ' ' A' ' 99' ' ' ARG . 33.1 mtm -112.04 159.63 18.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.29 -167.01 22.95 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.3 47.59 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.732 2.288 . . . . 0.0 112.311 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -77.25 154.2 33.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 109' ' ' GLU . 9.3 t -82.75 175.73 9.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.416 ' N ' ' OG ' ' A' ' 108' ' ' SER . 31.4 mm-40 -74.67 145.62 43.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.02 117.24 3.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.3 t -95.1 108.29 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -77.73 121.69 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -138.95 110.56 7.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -71.69 135.7 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.8 p -76.68 143.41 71.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.564 0.697 . . . . 0.0 111.114 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.429 ' HG2' ' CB ' ' A' ' 34' ' ' PRO . 53.6 Cg_endo -69.76 -163.66 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.408 ' HA ' ' CE ' ' A' ' 117' ' ' LYS . 5.1 mmpt? -136.89 163.42 30.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.16 39.26 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.1 p -71.76 -51.81 20.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 60.84 78.77 0.14 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -44.35 2.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.1 m -124.34 143.0 50.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.2 m -84.18 -50.84 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -129.97 95.82 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.832 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 m -67.18 133.82 50.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.1 105.85 0.37 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -168.0 168.28 12.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.843 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t 61.61 43.89 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.37 168.05 39.15 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.3 m -92.27 126.61 37.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 111.174 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.44 142.59 7.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.5 m80 65.15 43.34 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 55.04 -153.32 11.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -124.36 -56.82 1.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 111.144 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -96.97 108.42 21.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -61.55 130.42 45.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 4.1 mp0 -52.43 -178.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -143.75 110.04 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -52.24 153.86 4.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.686 0.755 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.449 ' HD3' ' ND2' ' A' ' 100' ' ' ASN . 53.3 Cg_endo -69.81 94.95 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.4 t -86.89 25.14 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.6 t -128.12 139.77 36.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.655 0.74 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 159.85 51.9 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.644 2.229 . . . . 0.0 112.384 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 171.53 14.23 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.401 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -125.59 -178.78 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 47.16 36.16 4.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.9 t -69.51 110.01 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.6 p -138.59 150.02 45.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.8 t -132.68 111.86 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 m -104.96 -177.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 t -126.79 153.38 45.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -94.62 109.8 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -58.12 -39.29 78.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.33 -18.26 74.98 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.404 ' CE ' ' HB2' ' A' ' 35' ' ' LYS . 12.7 tptm -146.72 106.41 4.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.596 0.712 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -23.5 30.6 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' HB2' ' CE ' ' A' ' 33' ' ' LYS . 62.7 mttm -87.35 3.28 47.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 37' ' ' ILE . 24.1 m -127.47 153.6 46.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.565 HD11 ' CE2' ' A' ' 94' ' ' PHE . 8.5 pt -143.31 164.14 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.436 ' N ' HD13 ' A' ' 38' ' ' ILE . 4.6 mp -125.97 122.85 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.9 t -103.83 118.68 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.3 OUTLIER -107.08 146.7 30.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.546 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 28.7 p90 -163.23 -176.32 4.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -147.96 161.4 34.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.566 0.698 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.36 66.99 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.713 2.275 . . . . 0.0 112.345 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 158.3 57.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.395 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.9 t -69.78 -37.24 76.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.66 72.87 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -85.39 53.78 2.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -38.03 -28.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -138.5 147.5 19.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 tttm -53.4 138.45 33.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.412 HG22 ' CZ ' ' A' ' 54' ' ' TYR . 24.0 mm -90.38 144.2 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.2 p -120.91 -30.1 4.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.8 -166.01 31.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.412 ' CZ ' HG22 ' A' ' 51' ' ' ILE . 64.7 m-85 -148.34 163.69 36.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.515 HG23 ' CZ ' ' A' ' 57' ' ' TYR . 28.2 mt -126.86 131.08 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 57' ' ' TYR . 73.9 mt -109.42 140.12 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.515 ' CZ ' HG23 ' A' ' 55' ' ' ILE . 10.8 m-85 -126.29 123.5 38.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.534 ' C ' ' CD1' ' A' ' 58' ' ' TYR . 1.8 p90 -139.08 150.3 45.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.6 t -170.65 164.0 8.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 78.9 p -87.65 45.86 1.32 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -172.61 128.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.4 p -86.04 -36.55 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -90.28 25.21 2.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.89 132.36 39.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.463 ' HB2' ' CE1' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -47.66 131.68 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tp -43.81 -26.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.668 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.4 p-80 -65.56 -41.58 92.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.668 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 5.8 m-20 -64.94 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.449 ' CH2' ' HE3' ' A' ' 95' ' ' LYS . 16.2 m95 -62.86 143.01 58.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.518 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 5.2 p -76.34 153.03 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 78.7 mt -109.31 106.96 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -108.3 87.36 4.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 140.63 42.97 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.7 t -105.62 119.41 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -76.46 169.45 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.88 -171.39 0.13 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -91.54 43.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -85.78 141.51 29.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 13.8 mt -112.51 8.48 19.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.4 t -132.26 136.98 47.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -125.58 147.17 49.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -117.39 105.12 11.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.5 mt -100.9 125.23 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -114.0 -175.07 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.422 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER 60.5 44.7 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.4 mt -111.47 140.41 46.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.517 ' CG2' ' HB ' ' A' ' 90' ' ' THR . 0.6 OUTLIER -61.76 175.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 89' ' ' ASP . 14.4 mt -111.05 165.58 11.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 88' ' ' LEU . 28.2 t0 35.82 54.97 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.517 ' HB ' ' CG2' ' A' ' 87' ' ' THR . 19.1 m -141.31 129.44 12.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.582 0.706 . . . . 0.0 111.154 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 109.32 2.28 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.743 2.295 . . . . 0.0 112.343 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.17 144.09 36.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -120.01 116.29 25.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.962 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 37' ' ' ILE . 9.8 m-85 -107.61 156.91 18.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.449 ' HE3' ' CH2' ' A' ' 69' ' ' TRP . 12.9 mttp -141.49 128.11 20.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 97' ' ' GLN . 30.7 mt -105.31 146.04 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.454 ' N ' HG22 ' A' ' 96' ' ' ILE . 19.7 tt0 -146.3 141.51 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -103.33 132.05 49.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.435 ' CB ' ' HG2' ' A' ' 104' ' ' MET . 6.9 ptt180 -139.96 149.51 43.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.449 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 18.0 p30 -119.09 -177.6 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -54.77 -20.98 9.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.419 ' NZ ' ' HB2' ' A' ' 15' ' ' GLU . 17.9 mmtp -79.2 -72.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.75 -163.99 11.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.49 ' SD ' ' CD1' ' A' ' 55' ' ' ILE . 66.4 mtm -112.87 145.14 41.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.429 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -90.57 -170.7 43.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 165.27 31.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.375 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 28.4 mtt -98.46 141.62 31.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.3 p -76.62 168.64 19.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -57.54 149.02 22.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.38 114.2 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 75.6 t -83.17 109.28 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -88.56 117.12 27.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -140.2 122.58 16.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -78.81 144.79 34.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.3 p -79.12 152.17 76.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.581 0.705 . . . . 0.0 111.151 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -163.95 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.334 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -136.59 161.05 36.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.4 -59.59 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.3 m -46.31 136.44 7.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -141.59 137.58 8.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -13.64 35.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 88.2 p -139.47 178.11 7.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 m -131.54 -49.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -150.44 108.36 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.368 . . . . 0.0 110.82 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -162.02 172.24 16.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.27 150.5 21.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 m -142.25 149.32 39.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 m -112.89 162.4 15.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.74 120.59 0.84 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.8 p -123.82 144.07 49.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 111.134 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 10' ' ' HIS . . . -68.22 -45.8 72.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 9' ' ' ALA . 32.2 p-80 44.24 42.11 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.19 -114.76 0.61 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.0 m -79.16 85.8 5.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 m -156.7 109.89 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -104.89 137.37 42.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.42 167.07 21.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.445 HD23 ' N ' ' A' ' 16' ' ' LEU . 2.6 mm? -124.94 111.37 15.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.4 m -53.68 152.71 9.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 111.118 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 96.5 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -81.41 14.32 2.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 p -122.48 139.44 30.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 164.58 34.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.266 . . . . 0.0 112.341 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -172.2 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.625 2.217 . . . . 0.0 112.364 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -148.45 168.82 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 60.46 39.38 18.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.7 t -74.8 109.92 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.6 p -130.74 147.72 52.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.519 HG11 ' CG ' ' A' ' 113' ' ' PHE . 60.8 t -130.07 107.3 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.0 m -109.19 163.85 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.6 p -90.3 171.4 9.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 13.4 tptm -97.78 145.48 26.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 11.7 tp10 -80.81 107.74 13.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 117.4 -42.1 1.93 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HE2' ' CD ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -125.93 125.08 24.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 110.9 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -52.12 0.35 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.746 2.297 . . . . 0.0 112.325 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.461 ' CD ' ' HE2' ' A' ' 33' ' ' LYS . 51.4 mttt -46.73 -38.5 10.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.9 m -78.7 128.88 34.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.8 pt -137.13 147.73 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.9 mp -105.89 121.66 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.2 t -102.25 102.97 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.87 153.49 17.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.538 ' CE3' ' O ' ' A' ' 79' ' ' LEU . 19.1 p90 -169.34 179.95 3.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -143.65 154.52 59.62 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.613 0.72 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 160.24 50.43 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.273 . . . . 0.0 112.34 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 141.96 46.66 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.716 2.278 . . . . 0.0 112.328 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -57.1 -34.35 68.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -87.47 72.43 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -80.2 60.02 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ALA . 92.4 m-20 -35.31 -33.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -128.58 -126.97 2.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -138.81 120.16 14.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.32 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.473 HG22 ' CE2' ' A' ' 54' ' ' TYR . 11.1 mm -78.15 119.42 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.03 2.63 5.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.6 137.68 5.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.473 ' CE2' HG22 ' A' ' 51' ' ' ILE . 26.0 m-85 -123.54 157.06 34.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.925 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.501 ' CD1' ' SD ' ' A' ' 104' ' ' MET . 11.2 mt -136.12 133.01 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.462 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 93.2 mt -115.86 126.19 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -111.83 124.52 52.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.52 ' C ' ' CD1' ' A' ' 58' ' ' TYR . 2.2 p90 -138.18 149.8 46.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -170.12 174.24 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.8 p -96.57 36.65 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -158.85 127.37 5.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.416 ' HB ' ' CE2' ' A' ' 93' ' ' TYR . 2.8 p -89.18 -31.56 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -95.92 27.79 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.92 142.53 33.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.555 ' OE1' ' CE1' ' A' ' 67' ' ' HIS . 47.8 mt-10 -61.66 137.94 58.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.4 tp -42.01 -26.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.555 ' CE1' ' OE1' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -56.71 -46.61 81.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -65.96 -33.7 76.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.806 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -61.69 138.83 58.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.481 HG11 ' CE2' ' A' ' 58' ' ' TYR . 8.1 p -76.61 153.56 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 55.4 mt -107.62 110.4 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -109.87 85.4 4.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.665 0.745 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 125.79 12.53 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 38.3 t -90.52 148.04 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.0 m -107.31 171.18 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.66 38.16 14.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.523 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.1 p30 39.66 36.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.427 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 30.4 ttt180 -69.32 136.66 52.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.538 ' O ' ' CE3' ' A' ' 41' ' ' TRP . 40.8 mt -92.17 -3.18 55.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.7 t -127.53 139.53 52.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -132.92 133.7 43.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.43 ' N ' ' OE1' ' A' ' 82' ' ' GLN . 7.4 mp0 -97.12 119.37 35.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.7 mt -114.73 121.59 67.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -118.06 -175.66 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 59.79 33.4 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.6 mt -93.96 164.36 13.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.6 m -88.39 140.87 29.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.6 mt -90.2 163.57 14.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 28.2 t70 49.15 44.22 22.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.9 m -148.72 125.74 5.49 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.562 0.696 . . . . 0.0 111.141 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 108.91 2.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -108.06 124.85 50.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.416 ' CE2' ' HB ' ' A' ' 62' ' ' VAL . 1.9 m-85 -87.6 126.23 34.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -112.48 146.37 38.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.406 ' HZ3' ' N ' ' A' ' 110' ' ' ALA . 24.1 mttm -135.06 151.32 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 97' ' ' GLN . 19.7 mt -132.32 145.52 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.411 ' N ' HG23 ' A' ' 96' ' ' ILE . 23.3 tt0 -143.44 154.58 43.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.86 129.38 56.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -133.84 143.62 48.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -124.84 177.42 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.8 m -47.51 -21.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 3.6 mptt -81.0 -62.57 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -172.88 -151.29 7.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.501 ' SD ' ' CD1' ' A' ' 55' ' ' ILE . 5.5 mtm -123.19 158.55 30.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.84 -162.63 24.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 151.58 69.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -75.11 150.38 38.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.0 p -87.03 173.73 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -70.3 143.13 52.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.406 ' N ' ' HZ3' ' A' ' 95' ' ' LYS . . . -68.84 120.81 15.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.5 t -96.27 107.35 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -78.15 100.72 6.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.519 ' CG ' HG11 ' A' ' 27' ' ' VAL . 38.8 t80 -110.67 115.55 29.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -72.29 120.07 17.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.4 p -60.07 146.44 82.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 111.103 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -163.62 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.295 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -140.75 161.82 36.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.77 40.85 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 96.5 p -137.81 129.6 28.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -168.69 -94.75 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 170.81 15.78 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 t -89.98 131.47 35.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.82 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.6 m -86.47 164.76 16.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.449 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -83.26 147.84 27.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 0.0 110.821 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -87.0 144.43 26.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.808 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.82 86.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 p -75.11 -53.46 8.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 t -87.34 84.13 7.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.29 -119.28 0.75 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -161.89 148.68 13.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.779 0.323 . . . . 0.0 111.128 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.2 145.31 31.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -68.65 156.7 37.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.98 58.11 1.83 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.443 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.5 p -49.58 126.33 13.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.3 p -103.45 -48.28 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -98.91 129.84 45.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.76 167.05 13.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD11 ' N ' ' A' ' 16' ' ' LEU . 5.6 mp -121.91 109.6 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 m -41.24 154.2 0.23 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 0.0 111.124 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.444 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 53.4 Cg_endo -69.77 100.03 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.3 t -84.35 26.36 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.8 t -131.67 136.53 28.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 157.49 60.14 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.302 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 156.18 63.81 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.649 2.233 . . . . 0.0 112.35 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -116.98 173.97 6.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.2 t0 60.7 33.51 20.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.9 t -69.32 116.02 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -142.81 139.77 31.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t -127.8 111.04 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.7 m -109.49 179.58 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.0 p -119.59 147.33 44.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -91.57 133.95 35.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 32' ' ' GLY . 52.5 tt0 -73.47 -66.64 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' GLU . . . -37.51 -35.51 0.2 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.483 ' CE ' ' HB2' ' A' ' 35' ' ' LYS . 1.3 tmtm? -141.91 118.91 7.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.594 0.711 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -39.29 6.53 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.317 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HB2' ' CE ' ' A' ' 33' ' ' LYS . 40.1 mttp -68.0 -2.35 7.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.0 m -114.2 138.53 50.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 94' ' ' PHE . 7.5 pt -135.41 159.25 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.473 ' N ' ' CD1' ' A' ' 38' ' ' ILE . 2.1 mp -121.5 137.04 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.1 t -127.35 116.14 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -103.07 158.16 16.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.562 ' CH2' HD13 ' A' ' 56' ' ' ILE . 27.1 p90 -170.29 178.2 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -138.72 159.38 67.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.9 66.31 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 139.21 39.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.715 2.277 . . . . 0.0 112.377 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.2 t -60.46 -39.3 87.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -87.51 77.2 8.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -106.35 68.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 47' ' ' ALA . 11.5 m-80 -35.2 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -118.22 -152.16 9.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.437 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -114.11 137.86 51.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.755 0.312 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.9 mm -85.71 142.22 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.0 p -129.4 -31.2 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.2 179.2 38.53 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -140.47 167.93 21.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.351 . . . . 0.0 110.925 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.495 ' CG2' ' CZ ' ' A' ' 57' ' ' TYR . 61.7 mt -138.41 124.72 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.098 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.562 HD13 ' CH2' ' A' ' 41' ' ' TRP . 97.9 mt -104.91 140.32 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.495 ' CZ ' ' CG2' ' A' ' 55' ' ' ILE . 11.0 m-85 -125.54 129.81 50.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.507 ' C ' ' CD1' ' A' ' 58' ' ' TYR . 3.0 p90 -144.1 141.07 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.0 t -157.95 146.54 19.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.825 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.9 p -53.68 -31.92 49.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -98.39 144.06 28.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.93 -16.58 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.071 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.53 -16.65 22.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.99 151.55 6.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' HIS . 31.3 mt-10 -74.41 136.92 42.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 65' ' ' GLU . 7.6 tp -36.12 -32.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' GLU . 2.3 m170 -54.68 -49.04 71.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.97 -36.21 83.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.501 ' CZ3' ' HE2' ' A' ' 95' ' ' LYS . 30.9 m95 -55.55 132.5 48.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.495 HG13 ' CE2' ' A' ' 58' ' ' TYR . 8.4 p -67.17 155.67 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 91.5 mt -110.55 109.58 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -108.07 86.18 3.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.617 0.722 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 133.24 25.04 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.0 t -105.75 106.28 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.5 m -55.47 170.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.92 -165.5 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' ARG . 13.8 t30 -91.3 8.22 37.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' ASN . 8.2 ttm-85 -37.17 150.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.428 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 38.0 mt -120.19 6.23 10.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 t -135.57 150.14 49.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -137.94 146.76 43.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -117.54 96.47 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.3 mt -88.35 118.22 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -108.44 -177.93 3.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 59.78 41.54 18.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.1 mt -102.1 163.37 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 24.0 m -83.12 158.06 22.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 29.3 mt -104.76 161.05 14.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.408 ' HB2' ' NZ ' ' A' ' 117' ' ' LYS . 33.2 t70 43.4 46.0 5.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.6 m -142.6 130.74 11.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.571 0.7 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 107.18 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.724 2.283 . . . . 0.0 112.35 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -107.49 140.22 40.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -107.97 122.4 46.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.953 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.543 ' CZ ' ' CD1' ' A' ' 37' ' ' ILE . 82.3 m-85 -109.48 154.6 22.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.501 ' HE2' ' CZ3' ' A' ' 69' ' ' TRP . 26.1 mtmt -143.63 139.02 29.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 97' ' ' GLN . 19.6 mt -111.55 146.34 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.445 ' N ' HG22 ' A' ' 96' ' ' ILE . 36.9 tt0 -153.07 140.58 19.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.57 156.7 17.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -153.66 148.94 27.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.6 p30 -128.04 -179.12 4.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.2 m -44.95 -23.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.89 -75.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -162.18 -158.95 9.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.423 ' HB3' ' CD ' ' A' ' 97' ' ' GLN . 19.4 mtm -96.11 173.48 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -117.41 -149.72 9.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.444 ' CD ' ' O ' ' A' ' 18' ' ' PRO . 53.4 Cg_endo -69.76 172.8 11.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 10.4 mtt -119.85 131.74 55.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 98.7 p -71.71 167.54 19.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.813 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -67.7 140.59 56.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.75 108.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.8 t -84.55 106.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -81.0 117.11 21.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -129.36 133.54 47.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -85.74 138.3 32.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 9.6 p -81.03 148.65 64.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 111.118 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -163.74 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 89' ' ' ASP . 5.8 mmpt? -137.5 152.15 49.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.06 -41.36 77.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.7 p -98.71 149.53 22.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.409 ' HA2' ' HD2' ' A' ' 121' ' ' PRO . . . 88.44 101.21 0.96 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.456 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.409 ' HD2' ' HA2' ' A' ' 120' ' ' GLY . 53.6 Cg_endo -69.74 110.56 2.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.632 2.222 . . . . 0.0 112.35 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 t -69.58 158.49 35.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.5 t -116.45 142.92 46.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.453 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 m -140.17 167.98 20.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 110.877 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 p -145.74 145.8 30.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.43 -59.54 2.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.538 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 t 51.61 45.16 28.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.845 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 m -108.86 -49.56 3.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.7 164.61 10.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.3 p -55.24 144.66 23.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.137 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.84 83.67 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -158.56 160.92 37.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.54 -84.64 0.34 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.9 m -97.0 93.18 6.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 111.182 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.4 m -105.14 141.08 37.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -102.71 97.0 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -123.08 155.12 37.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt -122.81 112.08 17.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.4 m -47.31 153.6 0.92 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.618 0.723 . . . . 0.0 111.17 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 104.49 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.5 t -85.79 24.88 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 t -132.37 138.27 31.83 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.728 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 167.45 24.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.719 2.279 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 179.41 3.74 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.296 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.63 -179.94 6.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.7 t0 48.26 43.53 19.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.7 t -73.41 117.98 18.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 p -139.15 141.84 38.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.4 t -130.89 113.96 25.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.0 m -122.8 165.58 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.4 p -93.44 158.52 15.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.3 tttm -90.08 138.96 31.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -75.53 114.25 13.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.73 -45.53 1.28 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.83 117.46 28.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.596 0.712 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -51.82 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -48.72 -23.0 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.1 m -93.57 141.06 28.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.089 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 pt -144.05 157.6 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.402 ' N ' ' CD1' ' A' ' 38' ' ' ILE . 3.3 mp -118.9 135.18 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 82.6 t -124.09 108.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -99.41 157.54 16.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.475 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 36.3 p90 -161.17 179.66 8.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -139.13 152.73 70.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 150.94 68.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 143.91 52.54 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.353 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.3 m -62.84 -23.68 67.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -102.43 73.82 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.31 64.47 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -38.61 -35.75 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -113.83 -173.62 18.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -93.71 137.81 32.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.716 0.294 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.1 mm -79.31 138.81 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.172 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.2 p -123.01 -36.7 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.63 -176.9 36.02 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -140.22 169.64 17.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.481 HG21 ' CZ ' ' A' ' 57' ' ' TYR . 52.5 mt -138.57 136.15 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.135 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.475 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 95.0 mt -117.53 132.5 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.481 ' CZ ' HG21 ' A' ' 55' ' ' ILE . 3.0 m-85 -118.69 121.58 40.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.531 ' CE1' HG13 ' A' ' 70' ' ' VAL . 5.7 p90 -135.53 137.6 42.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.1 t -156.03 151.94 27.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.3 p -62.15 -29.12 70.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -93.34 151.26 19.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.3 p -109.35 -20.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -99.22 -15.09 19.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.24 142.52 42.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -61.26 136.13 57.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.8 tp -42.04 -27.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -54.49 -46.61 73.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.24 -34.36 76.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -55.94 126.84 27.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.531 HG13 ' CE1' ' A' ' 58' ' ' TYR . 8.7 p -60.47 153.06 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 53.3 mt -110.04 112.11 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -107.19 84.54 1.72 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.58 0.705 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 133.4 25.38 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.313 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.433 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 22.5 t -114.36 150.33 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.0 m -122.68 -176.31 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 78' ' ' ARG . . . 56.31 41.6 87.5 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 76' ' ' GLY . 25.2 p30 36.95 31.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 76' ' ' GLY . 3.7 tpt85 -65.07 134.93 54.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.466 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 64.1 mt -100.76 2.67 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 t -138.41 146.82 42.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -132.13 136.81 47.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -104.58 101.71 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.8 mt -96.26 143.45 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.11 -178.77 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 62.51 47.83 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.8 mt -112.99 165.72 12.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.3 m -85.56 150.57 24.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mt -99.41 172.79 7.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.1 t0 44.82 32.2 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.5 m -141.02 123.78 9.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 111.187 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.78 3.49 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.331 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -105.59 139.98 39.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -103.68 125.4 50.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -111.84 170.35 8.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -152.79 140.6 20.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 97' ' ' GLN . 16.9 mt -118.56 150.2 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.403 ' N ' HG22 ' A' ' 96' ' ' ILE . 14.6 tt0 -159.62 149.41 18.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -110.48 146.47 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.459 ' CB ' ' HA ' ' A' ' 104' ' ' MET . 6.8 ptt180 -150.94 151.87 32.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 101' ' ' SER . 34.0 p30 -124.6 172.96 8.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 100' ' ' ASN . 50.2 m -36.18 -36.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -65.64 -74.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -163.08 -165.16 19.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.459 ' HA ' ' CB ' ' A' ' 99' ' ' ARG . 0.9 OUTLIER -100.58 160.34 14.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.45 -156.4 21.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 152.01 69.1 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 18.3 mtt -91.2 154.61 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 109' ' ' GLU . 6.3 t -93.75 177.5 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.439 ' N ' ' OG ' ' A' ' 108' ' ' SER . 21.6 mt-10 -71.97 153.97 41.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.75 116.27 10.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.1 t -82.46 111.68 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.26 115.06 23.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -137.16 119.84 16.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.1 ttp85 -75.08 138.37 42.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.8 p -76.72 147.04 77.44 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.614 0.721 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -163.67 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.656 2.237 . . . . 0.0 112.322 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -139.55 162.93 33.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.2 44.3 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.6 t -111.35 105.22 13.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.82 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 154.95 164.57 13.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -179.27 2.76 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.729 2.286 . . . . 0.0 112.328 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.4 p -82.13 -51.99 7.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.7 p -153.74 119.89 5.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -162.87 154.03 17.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 m -157.42 171.41 20.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.46 92.17 0.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 m -40.72 116.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -42.07 123.95 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.13 125.63 8.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.4 m -71.95 -49.31 38.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 111.183 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.18 172.73 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -133.79 132.06 40.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.11 149.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.2 m -118.58 140.25 50.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 111.179 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 m -92.35 99.2 12.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 4.6 p90 -119.11 165.13 14.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -147.84 159.92 43.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 mt -127.07 115.35 19.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 m -52.26 151.56 7.01 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.654 0.74 . . . . 0.0 111.131 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 99.95 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.391 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 t -81.67 16.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 p -128.74 141.65 42.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.679 0.752 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.01 25.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -170.3 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.675 2.25 . . . . 0.0 112.308 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -143.8 172.78 12.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 53.91 42.22 31.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.4 t -75.39 113.7 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 p -130.23 142.62 50.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.2 t -131.0 107.76 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.27 172.63 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 m -113.47 141.89 46.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.463 ' HE2' ' CG2' ' A' ' 36' ' ' THR . 2.1 tppt? -75.67 152.29 37.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -84.48 -58.44 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.26 -31.49 6.36 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.16 132.79 12.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -39.24 6.67 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.665 2.243 . . . . 0.0 112.309 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -70.2 -36.21 74.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.463 ' CG2' ' HE2' ' A' ' 30' ' ' LYS . 82.2 m -66.24 122.77 18.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 pt -130.39 156.44 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.75 137.01 53.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.6 t -122.19 108.18 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -103.92 160.69 14.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.536 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 36.1 p90 -169.43 179.31 3.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -135.51 154.72 78.55 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.594 0.712 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 145.88 58.49 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.274 . . . . 0.0 112.351 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 161.58 45.39 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.669 2.246 . . . . 0.0 112.3 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.3 p -74.52 -37.77 62.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.75 47.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -40.22 -38.47 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 39.44 25.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . 160.49 173.05 28.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -86.16 121.48 28.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.9 mm -67.87 130.2 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.1 p -106.4 -42.42 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.429 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -163.43 -173.21 31.87 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.432 ' CZ ' HD23 ' A' ' 79' ' ' LEU . 10.8 m-85 -143.04 158.29 43.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.898 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.45 HG22 ' CE1' ' A' ' 57' ' ' TYR . 16.5 mt -131.87 141.76 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.2 mt -118.3 135.49 58.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.45 ' CE1' HG22 ' A' ' 55' ' ' ILE . 5.6 m-85 -123.73 129.1 50.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 8.2 p90 -140.24 165.9 26.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -172.68 171.86 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.4 p -89.11 9.42 25.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.159 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -149.25 138.24 21.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.5 p -91.93 -18.1 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -97.55 32.96 2.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.4 149.6 26.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 68' ' ' ASP . 12.9 mp0 -62.06 130.04 43.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 65' ' ' GLU . 10.0 tp -34.27 -37.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.663 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.0 p-80 -60.08 -47.76 84.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.663 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 10.6 t0 -51.99 -34.94 44.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.522 ' CZ3' ' HD2' ' A' ' 95' ' ' LYS . 38.8 m95 -61.29 146.77 46.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.467 HG23 ' N ' ' A' ' 71' ' ' ILE . 10.1 p -81.22 150.87 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.467 ' N ' HG23 ' A' ' 70' ' ' VAL . 75.9 mt -104.01 114.51 43.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.407 ' OE1' ' CG1' ' A' ' 70' ' ' VAL . 2.5 mp0 -112.85 87.08 9.63 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.637 0.732 . . . . 0.0 110.809 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 134.0 26.84 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.634 2.222 . . . . 0.0 112.329 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.45 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 26.9 t -109.91 97.6 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.4 m -53.98 155.2 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.5 165.03 0.2 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -73.53 73.2 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.817 0.341 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.45 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 3.6 tpt180 -108.36 138.15 45.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.536 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 6.6 mt -107.29 1.55 23.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.5 t -128.28 149.43 50.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -139.41 148.28 42.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -126.34 107.65 10.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 74.2 mt -103.97 140.42 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -128.81 179.36 5.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 62.87 32.91 15.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.8 mt -91.02 176.68 6.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.38 166.68 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 mt -117.94 171.04 8.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.1 t70 44.97 32.98 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 95.0 m -138.32 127.58 14.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.715 . . . . 0.0 111.136 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 102.8 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.712 2.274 . . . . 0.0 112.328 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -102.05 127.99 48.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -99.2 135.23 40.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -122.95 146.91 47.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.522 ' HD2' ' CZ3' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -136.48 128.48 29.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.434 HG21 ' N ' ' A' ' 97' ' ' GLN . 17.8 mt -97.44 153.88 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.434 ' N ' HG21 ' A' ' 96' ' ' ILE . 30.0 tt0 -152.11 137.32 17.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.51 150.32 22.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -146.04 138.79 25.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -118.86 -177.88 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.2 m -43.15 -32.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -74.56 -70.82 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -167.98 -153.53 8.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.26 160.73 15.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -108.71 -160.78 19.99 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.74 45.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -74.55 144.21 44.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.0 p -66.63 174.11 3.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.67 150.81 46.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.68 107.3 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.3 t -83.62 101.06 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -76.74 113.59 14.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -132.95 115.56 15.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -73.65 135.69 43.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.1 p -80.23 146.6 62.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.601 0.715 . . . . 0.0 111.141 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -164.04 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.357 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -138.13 159.25 42.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.02 -56.05 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 m -68.97 127.58 33.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 170.45 -166.52 39.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 94.8 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.369 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.4 t -120.19 88.28 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.8 t -133.05 124.64 28.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p 42.55 40.86 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 p -159.28 154.75 25.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.77 51.81 3.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -77.82 152.44 33.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 0.0 110.83 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 m -49.91 101.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.73 -95.62 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.7 p -73.55 110.19 7.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.771 0.319 . . . . 0.0 111.156 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.82 -179.25 5.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -91.55 55.47 2.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 132.16 173.62 13.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.1 m -72.42 -56.55 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 0.0 111.079 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -96.9 127.89 43.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -131.54 133.34 44.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.447 ' HB2' ' CE ' ' A' ' 102' ' ' LYS . 16.2 mt-10 -121.8 165.71 15.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.2 mt -146.72 112.26 5.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.8 m -51.08 148.47 7.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 102.06 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.709 2.272 . . . . 0.0 112.342 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.4 t -84.27 21.08 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.2 p -134.4 143.34 46.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.688 0.756 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 163.55 37.88 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.616 2.211 . . . . 0.0 112.385 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -177.38 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.68 2.254 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -142.6 178.72 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 t70 50.55 43.42 27.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 72.7 t -76.7 128.9 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 p -150.06 145.14 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.458 HG13 ' CG ' ' A' ' 113' ' ' PHE . 39.8 t -127.29 105.66 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.4 m -106.34 167.2 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 p -110.26 161.33 15.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -98.13 135.74 39.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.19 -62.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -41.1 -39.21 2.01 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -138.71 130.44 15.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.543 0.687 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -51.69 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -54.43 -35.17 62.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.2 m -73.37 138.18 45.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.558 HD13 ' CE2' ' A' ' 94' ' ' PHE . 11.7 pt -139.11 159.02 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 38' ' ' ILE . 5.1 mp -126.03 118.2 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.5 t -95.52 112.39 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -103.49 124.66 49.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.534 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 26.6 p90 -142.18 -175.34 4.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -145.33 161.35 42.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 152.42 69.33 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 138.1 36.95 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.716 2.278 . . . . 0.0 112.321 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -47.75 -34.45 8.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -85.47 86.31 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.82 67.22 1.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -75.89 49.39 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 155.59 176.72 28.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.78 118.45 29.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.519 HG23 ' CZ ' ' A' ' 54' ' ' TYR . 29.0 mm -67.06 125.57 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.441 HG21 ' N ' ' A' ' 101' ' ' SER . 19.4 p -94.43 -30.89 14.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.578 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -178.04 -167.95 36.79 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.583 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 0.1 OUTLIER -149.17 150.43 32.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 0.0 110.917 -179.839 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.419 HG22 ' CZ ' ' A' ' 57' ' ' TYR . 69.5 mt -123.05 142.03 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.418 HD13 ' CH2' ' A' ' 41' ' ' TRP . 35.2 mt -121.58 137.28 55.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.419 ' CZ ' HG22 ' A' ' 55' ' ' ILE . 2.2 m-85 -121.55 129.75 53.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.505 ' C ' ' CD1' ' A' ' 58' ' ' TYR . 3.1 p90 -143.76 151.05 39.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -174.27 161.94 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.0 p -82.64 46.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.41 ' O ' ' CZ2' ' A' ' 69' ' ' TRP . 2.5 m-20 -165.93 137.83 3.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.39 -23.05 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -98.37 -13.17 20.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.35 131.9 38.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.9 OUTLIER -46.31 134.94 8.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.2 tp -41.5 -40.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.654 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 0.8 OUTLIER -62.54 -37.76 87.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.654 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 34.2 t0 -59.27 -28.2 66.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 61' ' ' ASP . 11.8 m95 -70.76 131.8 44.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.492 HG11 ' CE2' ' A' ' 58' ' ' TYR . 3.8 p -58.01 149.83 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.081 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.0 mt -105.85 108.09 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -107.18 84.3 1.64 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.643 0.735 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 135.45 30.46 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.304 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.422 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 58.4 t -106.56 113.49 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.0 m -70.98 155.93 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.94 176.31 0.76 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.429 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -81.04 77.83 7.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.781 0.324 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.422 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 5.0 tpt180 -112.94 148.8 34.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.534 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 89.6 mt -117.55 4.55 12.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.44 146.52 44.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -134.86 154.78 51.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -120.86 114.05 21.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 45.5 mt -111.6 143.81 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -134.54 -174.57 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 63.89 34.73 11.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.2 mt -107.65 140.85 40.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.523 ' CG2' ' HB ' ' A' ' 90' ' ' THR . 0.6 OUTLIER -65.09 169.98 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.165 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 89' ' ' ASP . 21.5 mt -104.7 171.56 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 88' ' ' LEU . 33.8 t70 32.49 54.26 0.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.523 ' HB ' ' CG2' ' A' ' 87' ' ' THR . 3.3 m -140.8 132.66 14.05 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.584 0.706 . . . . 0.0 111.13 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 112.16 3.01 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -116.93 141.71 47.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -113.19 125.48 54.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.558 ' CE2' HD13 ' A' ' 37' ' ' ILE . 67.7 m-85 -110.67 149.07 30.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -134.98 136.3 42.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.6 mt -116.76 154.68 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -161.03 142.62 11.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -101.57 130.92 47.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.4 ptt-85 -130.71 140.86 50.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 0.3 OUTLIER -118.79 177.76 4.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.441 ' N ' HG21 ' A' ' 52' ' ' THR . 10.1 t -45.69 -37.17 5.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.45 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.4 OUTLIER -62.93 -72.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.16 -147.42 4.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.7 mtm -117.4 159.35 22.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.789 0.328 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -104.69 -167.61 24.42 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 149.5 67.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.375 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 10.7 mmt -82.06 136.81 35.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.2 p -72.03 173.32 8.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -74.22 132.97 42.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -43.06 140.29 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 97.4 t -114.85 102.33 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -76.28 121.74 23.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.458 ' CG ' HG13 ' A' ' 27' ' ' VAL . 17.7 t80 -141.12 116.78 10.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -75.22 126.61 31.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.3 p -59.9 151.56 63.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.574 0.702 . . . . 0.0 111.119 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -163.82 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.747 2.298 . . . . 0.0 112.351 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.42 ' NZ ' ' HA ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -136.31 155.6 49.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.18 51.63 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.7 m -137.46 114.3 10.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -135.88 64.57 0.58 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 177.76 5.28 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.654 2.236 . . . . 0.0 112.361 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.0 m -46.66 139.7 5.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.3 t -95.26 -61.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.448 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 p -166.42 171.66 11.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.886 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 m -52.05 163.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.55 108.21 0.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 m -107.5 116.99 32.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -155.0 120.93 5.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.91 137.98 4.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.3 p -106.64 107.34 18.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.072 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 10' ' ' HIS . . . -144.38 128.97 18.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.076 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' ALA . 13.1 p80 -35.65 -39.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.797 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.65 -178.4 42.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.561 ' HB ' ' CE1' ' A' ' 14' ' ' PHE . 46.8 p -91.36 109.07 20.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 111.139 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.7 p -82.76 7.31 15.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.561 ' CE1' ' HB ' ' A' ' 12' ' ' THR . 3.4 p90 -105.88 161.68 14.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -119.44 163.64 16.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt -129.52 110.36 11.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.5 m -45.55 152.26 0.7 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 111.14 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.402 ' HD3' ' ND2' ' A' ' 100' ' ' ASN . 53.7 Cg_endo -69.75 108.54 2.1 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 p -89.03 13.88 11.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -126.34 138.5 32.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.844 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 169.16 19.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.353 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -177.54 1.93 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -146.92 171.91 14.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 46.1 53.97 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.5 t -85.53 112.37 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -126.4 148.68 49.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.3 t -132.99 117.69 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.4 m -120.67 174.56 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.1 t -120.08 146.29 46.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -57.99 154.8 11.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -88.61 -6.94 57.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.19 8.97 4.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.404 ' CG ' ' HB ' ' A' ' 36' ' ' THR . 18.8 tptm -154.03 105.02 2.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -41.37 4.36 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.274 . . . . 0.0 112.348 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -66.94 -8.21 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 37' ' ' ILE . 36.3 m -113.77 138.29 50.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.424 ' N ' HG22 ' A' ' 36' ' ' THR . 12.1 pt -136.23 156.46 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 mp -118.87 118.66 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.5 t -98.99 105.22 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -97.68 125.78 42.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.473 ' CD2' HD13 ' A' ' 96' ' ' ILE . 40.3 p90 -135.13 -177.32 4.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -144.94 142.51 18.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 0.0 110.951 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.432 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 53.7 Cg_endo -69.73 163.16 39.27 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 157.24 60.92 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.291 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -81.27 14.82 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 47' ' ' ALA . 21.9 mt-10 -110.38 -52.33 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 33.97 45.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' ALA . 74.6 m-20 -36.29 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -132.71 164.13 24.06 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -62.88 115.36 4.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.428 ' CG2' ' CZ ' ' A' ' 54' ' ' TYR . 13.7 mm -70.36 116.08 10.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.7 p -81.12 -26.29 36.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.434 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . 172.03 -164.78 37.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 53' ' ' GLY . 8.0 m-85 -148.11 153.25 38.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.842 0.353 . . . . 0.0 110.938 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.457 HG23 ' CZ ' ' A' ' 57' ' ' TYR . 72.4 mt -119.57 144.59 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.5 mt -123.57 132.97 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.457 ' CZ ' HG23 ' A' ' 55' ' ' ILE . 5.5 m-85 -116.81 114.41 23.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.495 ' CE2' HG13 ' A' ' 70' ' ' VAL . 9.7 p90 -121.37 144.1 48.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.459 ' HB2' ' CD2' ' A' ' 69' ' ' TRP . 2.2 m -169.38 148.55 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.877 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.5 p -64.36 -26.1 68.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.541 ' O ' ' CZ2' ' A' ' 69' ' ' TRP . 1.0 OUTLIER -91.49 138.23 31.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.52 ' HB ' ' CZ ' ' A' ' 93' ' ' TYR . 14.5 p -99.64 -11.43 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -110.09 -22.69 11.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.27 134.59 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' HIS . 2.3 mp0 -47.43 127.64 11.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.0 tp -40.89 -25.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.177 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.635 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.0 p-80 -69.73 -43.54 72.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.635 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 38.8 t70 -60.67 -30.27 69.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.541 ' CZ2' ' O ' ' A' ' 61' ' ' ASP . 16.9 m95 -60.79 154.31 22.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.495 HG13 ' CE2' ' A' ' 58' ' ' TYR . 7.3 p -81.03 155.6 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.188 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.1 mt -109.63 111.62 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -107.63 86.63 2.97 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 130.48 19.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 99.8 t -107.15 98.34 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.4 m -53.36 167.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.64 -175.09 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -88.06 26.7 1.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.459 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 1.0 OUTLIER -53.17 144.96 14.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 26.0 mt -112.45 2.42 16.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.08 149.58 46.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -125.41 153.81 42.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -125.08 96.93 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 33.5 mt -94.33 145.81 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.23 176.55 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 58.34 53.8 6.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.2 mt -115.72 162.49 17.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.1 m -81.51 153.26 26.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.4 mt -106.05 171.27 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.409 ' HB2' ' NZ ' ' A' ' 117' ' ' LYS . 22.3 t70 45.39 41.64 6.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.6 m -147.65 131.07 8.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.538 0.685 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 110.58 2.58 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.343 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -105.77 140.89 38.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.52 ' CZ ' ' HB ' ' A' ' 62' ' ' VAL . 26.9 m-85 -105.03 140.35 38.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -128.31 148.69 50.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -140.47 127.96 21.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.473 HD13 ' CD2' ' A' ' 41' ' ' TRP . 88.8 mt -109.62 153.57 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.452 ' N ' HG23 ' A' ' 96' ' ' ILE . 18.9 tt0 -156.37 139.15 15.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.45 127.26 46.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.451 ' CB ' ' HA ' ' A' ' 104' ' ' MET . 17.3 ptt180 -133.86 153.94 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.43 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 0.5 OUTLIER -122.33 -177.28 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 64.7 m -48.4 -36.71 15.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.417 ' HE2' ' N ' ' A' ' 102' ' ' LYS . 0.5 OUTLIER -68.89 -72.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -158.64 -168.61 21.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.451 ' HA ' ' CB ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -103.77 170.67 7.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 110.849 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -112.8 -156.62 12.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 150.36 68.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 30.0 mtt -93.07 139.61 30.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.1 p -76.44 166.34 23.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -63.37 157.65 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.06 112.06 6.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 55.4 t -84.13 102.58 10.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -76.73 112.41 13.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -126.99 117.98 23.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -72.14 133.18 45.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.6 p -72.81 150.25 90.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -163.59 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 89' ' ' ASP . 6.3 mmpt? -141.91 154.98 45.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -83.08 130.56 35.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 66.9 m -134.55 138.87 44.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -79.16 -81.24 0.73 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 89.68 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.642 2.228 . . . . 0.0 112.305 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.6 t -112.37 122.64 48.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 124' ' ' GLY . 32.6 p -53.41 149.34 7.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.824 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 123' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -140.05 145.84 38.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -136.42 146.48 46.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.83 67.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -72.83 172.33 11.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -124.11 146.47 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 113.83 170.26 17.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 7' ' ' GLY . 9.1 t -35.63 140.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.79 0.329 . . . . 0.0 111.181 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.14 177.35 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -143.16 163.61 32.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.72 -127.96 9.31 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.41 ' HA ' ' NZ ' ' A' ' 102' ' ' LYS . 71.4 p -64.41 100.51 0.36 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 111.181 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 t -109.65 -46.97 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -134.91 36.5 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.425 ' C ' HD22 ' A' ' 16' ' ' LEU . 19.3 mt-10 -148.83 138.43 21.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.443 ' CD2' ' N ' ' A' ' 16' ' ' LEU . 2.2 mm? -115.34 117.99 31.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.6 m -57.17 154.11 22.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.748 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 97.03 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 0.0 112.325 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.5 p -82.83 19.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -123.47 132.69 24.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.55 37.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 175.48 8.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.375 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -131.28 177.71 7.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.4 t0 50.63 37.28 15.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.08 104.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.1 p -133.08 147.3 52.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.5 t -126.59 110.99 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.4 m -112.24 166.37 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.1 p -110.93 166.7 10.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -100.43 137.71 38.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -69.1 -62.52 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -44.89 -37.39 5.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -136.73 129.5 17.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.554 0.692 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -49.6 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -54.63 -41.99 70.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 m -67.59 134.55 51.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.4 pt -139.49 149.84 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.38 123.24 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.5 t -106.5 115.46 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.57 162.74 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.493 ' CE3' HD11 ' A' ' 96' ' ' ILE . 28.2 p90 -174.99 -176.11 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -147.32 157.98 44.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.573 0.702 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 152.45 69.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.344 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 133.5 25.61 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.637 2.225 . . . . 0.0 112.341 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.1 m -46.69 -38.63 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -90.28 92.96 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ASN . . . -102.12 65.22 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' ALA . 81.9 m-20 -35.85 -40.62 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.8 -142.69 5.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.23 129.86 56.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.732 0.301 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.5 mm -80.0 110.62 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.179 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 101' ' ' SER . 61.1 p -83.93 -38.02 21.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.55 -175.09 35.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 1.2 m-85 -138.72 148.91 44.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.921 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.491 ' CD1' ' SD ' ' A' ' 104' ' ' MET . 47.7 mt -119.12 139.61 45.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.0 mt -118.63 133.77 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.186 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -119.49 130.68 55.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.561 ' CE2' HG12 ' A' ' 70' ' ' VAL . 2.1 p90 -147.75 148.02 30.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.2 t -174.13 132.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.0 p -42.87 -34.66 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.176 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -91.38 131.16 37.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 p -95.45 -25.14 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -85.35 -15.79 42.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.81 149.83 10.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 67' ' ' HIS . 8.8 mp0 -62.66 134.78 56.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 67' ' ' HIS . 10.1 tp -38.9 -28.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.664 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 0.9 OUTLIER -68.71 -45.25 72.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.664 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 3.9 t70 -56.78 -24.21 48.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.469 ' CZ3' ' HE3' ' A' ' 95' ' ' LYS . 13.3 m95 -70.12 132.6 46.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.561 HG12 ' CE2' ' A' ' 58' ' ' TYR . 8.5 p -64.44 146.35 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.432 ' N ' HG22 ' A' ' 70' ' ' VAL . 48.4 mt -103.49 109.67 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -107.21 84.66 1.77 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.594 0.712 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 132.13 22.78 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 85.1 t -106.74 109.24 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.97 157.71 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.93 -178.48 2.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -85.89 43.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.483 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 4.1 tpt180 -74.59 137.22 42.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.7 mt -105.9 8.29 32.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 t -136.4 154.13 50.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -140.85 149.74 42.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -114.42 105.03 12.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.47 HG21 ' CD1' ' A' ' 86' ' ' LEU . 84.3 mt -106.98 112.26 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -118.08 -175.95 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 63.37 48.36 3.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' A' ' 83' ' ' ILE . 13.4 mt -119.43 168.08 11.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.4 m -79.65 150.51 30.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 20.3 mt -99.76 165.29 11.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.1 t0 44.35 44.14 6.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.414 ' CG2' ' HD2' ' A' ' 91' ' ' PRO . 87.3 m -143.34 137.06 14.32 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.556 0.693 . . . . 0.0 111.155 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.414 ' HD2' ' CG2' ' A' ' 90' ' ' THR . 53.5 Cg_endo -69.75 121.46 8.16 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -122.1 142.44 50.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -113.44 125.42 54.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -117.09 150.36 38.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.469 ' HE3' ' CZ3' ' A' ' 69' ' ' TRP . 5.4 mtmp? -140.61 127.94 21.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.493 HD11 ' CE3' ' A' ' 41' ' ' TRP . 53.1 mt -107.49 144.96 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.446 ' N ' HG23 ' A' ' 96' ' ' ILE . 0.7 OUTLIER -142.64 154.22 44.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.07 117.09 32.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.448 ' HD3' ' CD1' ' A' ' 55' ' ' ILE . 33.9 ptt85 -116.18 149.74 38.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -122.49 -175.85 3.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.455 ' N ' HG23 ' A' ' 52' ' ' THR . 14.4 t -53.8 -32.07 51.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 12' ' ' THR . 21.1 mmmt -73.57 -70.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -158.52 -160.65 10.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.417 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.491 ' SD ' ' CD1' ' A' ' 55' ' ' ILE . 48.1 mtm -104.51 156.39 17.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.5 -157.98 25.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 162.49 41.9 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 45.9 mtt -108.15 146.3 32.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.1 p -78.03 176.46 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -73.25 152.27 41.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.88 108.55 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.6 t -82.52 101.06 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -76.62 100.87 5.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -114.3 113.97 25.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -72.11 117.76 14.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 9.6 p -54.97 147.26 34.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.546 0.688 . . . . 0.0 111.152 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -141.45 155.61 45.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.76 110.81 9.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.073 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.8 m -123.35 175.41 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -82.38 131.52 10.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 101.77 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.7 p -100.0 168.98 9.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.5 t -69.59 110.32 4.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m 41.0 41.99 1.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 m -84.19 148.78 26.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.08 97.71 0.18 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 m -127.31 144.23 51.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 110.907 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -80.64 125.62 30.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.9 84.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.8 m -112.26 -54.11 2.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.788 0.328 . . . . 0.0 111.17 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -44.95 148.03 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -66.3 -60.23 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.808 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.41 48.52 0.51 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 13' ' ' THR . 55.9 m -91.31 -53.78 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 111.085 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 12' ' ' THR . 70.2 p -36.88 134.59 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.507 ' CG ' ' O ' ' A' ' 14' ' ' PHE . 3.0 p90 -68.23 118.04 10.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.95 160.13 10.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -117.04 117.28 29.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.4 m -55.34 153.41 13.8 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.601 0.715 . . . . 0.0 111.118 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 102.55 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -85.78 5.88 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 t -116.89 136.39 23.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 163.67 37.37 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.365 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 158.22 57.72 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.79 -179.04 3.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t70 53.56 27.76 7.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.0 107.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.5 p -136.72 147.3 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.77 112.55 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.2 m -111.75 -179.97 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.1 p -112.38 169.33 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -103.61 141.56 35.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -84.36 104.9 14.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 121.66 -28.82 5.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -128.77 101.64 20.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.539 0.685 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -18.15 37.02 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -86.81 -7.21 58.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -111.83 150.18 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.554 HD11 ' CE2' ' A' ' 94' ' ' PHE . 7.2 pt -148.07 156.31 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.3 mp -117.24 124.11 72.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.424 ' O ' ' CZ3' ' A' ' 41' ' ' TRP . 87.2 t -104.3 103.74 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -91.14 154.95 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.529 ' CH2' HD11 ' A' ' 56' ' ' ILE . 22.4 p90 -171.01 -176.84 2.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -146.8 161.19 38.47 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.576 0.703 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 151.19 69.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.39 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 163.46 38.14 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.647 2.231 . . . . 0.0 112.366 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -83.42 -20.39 34.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -100.28 38.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -46.6 -38.24 9.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 39.38 25.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . 161.85 145.63 4.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 141.64 6.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.7 mm -99.07 117.65 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 101' ' ' SER . 15.0 p -75.18 -49.12 20.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.185 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -166.38 -156.77 9.74 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.444 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 53' ' ' GLY . 7.4 m-85 -151.54 156.35 40.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 0.0 110.962 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.427 ' CG2' ' CZ ' ' A' ' 57' ' ' TYR . 42.7 mt -123.03 138.94 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.529 HD11 ' CH2' ' A' ' 41' ' ' TRP . 91.6 mt -118.25 130.14 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CZ ' ' CG2' ' A' ' 55' ' ' ILE . 3.0 m-85 -118.95 123.56 44.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.536 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 4.3 p90 -133.08 137.27 46.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -155.21 150.43 27.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 40.7 p -60.17 -40.7 90.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.153 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -88.08 143.79 26.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.3 p -97.58 -12.01 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.57 -13.51 15.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.51 134.22 24.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 68' ' ' ASP . 14.7 mt-10 -46.98 132.17 11.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.5 tp -42.18 -27.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.682 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 1.2 p-80 -69.67 -42.19 74.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.682 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -61.63 -23.64 66.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -69.17 145.15 53.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.473 HG13 ' CZ ' ' A' ' 58' ' ' TYR . 5.5 p -76.2 154.89 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.9 mt -111.38 108.97 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -109.09 87.25 4.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 140.77 43.66 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.375 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.9 t -110.1 122.44 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.0 m -76.49 160.15 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.26 -173.91 0.95 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -86.88 36.29 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -73.67 146.01 44.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.501 ' HA ' ' CE2' ' A' ' 41' ' ' TRP . 7.6 mt -119.03 12.58 12.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.3 t -137.88 141.63 40.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -134.22 149.64 50.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -117.08 105.17 11.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.1 mt -99.98 126.45 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -115.41 -176.41 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 59.61 37.01 22.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.5 mt -100.24 152.38 20.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.69 151.28 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 89' ' ' ASP . 13.7 mt -97.8 177.07 5.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 88' ' ' LEU . 15.5 t0 36.91 43.62 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 51.9 m -146.82 127.17 6.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 111.139 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 108.84 2.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.369 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -102.54 130.23 49.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -98.45 116.47 30.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.554 ' CE2' HD11 ' A' ' 37' ' ' ILE . 34.4 m-85 -107.54 158.11 17.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -149.63 140.81 23.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 97' ' ' GLN . 40.9 mt -117.11 153.36 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.422 ' N ' HG22 ' A' ' 96' ' ' ILE . 30.1 tt0 -154.52 136.3 14.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -101.32 126.65 48.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.456 ' CB ' ' HG2' ' A' ' 104' ' ' MET . 19.6 ptt180 -127.88 151.29 49.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 100' ' ' ASN . 0.6 OUTLIER -126.41 176.91 6.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.452 ' N ' HG23 ' A' ' 52' ' ' THR . 29.0 t -44.16 -34.7 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.462 ' HE2' ' N ' ' A' ' 102' ' ' LYS . 0.4 OUTLIER -65.95 -73.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -158.83 -149.77 5.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.456 ' HG2' ' CB ' ' A' ' 99' ' ' ARG . 57.6 mtm -116.26 156.7 26.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.97 -158.57 24.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 163.53 37.95 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 27.7 mtt -105.58 122.67 46.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.5 p -54.49 160.22 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -65.29 140.78 58.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.42 116.73 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 84.4 t -89.18 101.52 12.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -76.8 100.72 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -115.98 114.57 24.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.1 ttm-85 -72.45 118.99 16.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 14.8 p -58.17 144.27 77.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.555 0.693 . . . . 0.0 111.164 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -138.72 157.09 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.58 45.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.7 t -89.63 48.6 1.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 51.25 177.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 150.44 68.53 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.738 2.292 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.5 m -94.53 112.81 24.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 34.7 p -139.39 149.83 44.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.442 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 m -145.11 168.09 21.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.858 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -94.83 -47.08 6.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.16 64.47 3.23 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -118.87 40.16 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.389 . . . . 0.0 110.871 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.1 p -96.36 49.2 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.34 81.89 0.14 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -126.76 -2.73 6.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.747 0.308 . . . . 0.0 111.125 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.43 80.55 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -60.89 103.38 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -118.31 -76.15 0.53 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.451 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.0 m -45.1 106.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 111.151 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 t -80.49 118.47 22.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -125.44 124.46 41.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 5.2 mp0 -111.8 148.61 33.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.8 mm? -116.96 109.94 17.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.0 m -44.97 154.1 0.47 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.624 0.726 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.456 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 53.9 Cg_endo -69.74 107.26 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.724 2.283 . . . . 0.0 112.339 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.1 p -86.17 12.67 9.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 t -124.52 135.94 27.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 163.76 37.08 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.719 2.279 . . . . 0.0 112.33 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 168.59 21.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -128.85 179.9 5.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t0 52.72 35.27 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.8 t -68.1 108.43 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 p -136.45 144.32 44.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.9 t -132.72 112.02 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.73 176.31 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -115.53 157.11 24.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -93.13 146.08 23.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 32' ' ' GLY . 14.6 tp10 -74.27 -67.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 31' ' ' GLU . . . -36.35 -37.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.527 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -139.34 131.63 15.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.541 0.686 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -51.42 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -52.45 -43.05 64.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.4 m -62.92 140.73 58.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.2 pt -143.27 156.15 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mp -118.92 130.53 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.5 t -117.13 111.9 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -102.67 150.92 22.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.528 ' CZ3' HD13 ' A' ' 56' ' ' ILE . 33.5 p90 -160.68 -176.19 5.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -145.48 155.73 53.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.647 0.737 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 154.29 68.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 0.0 112.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 144.38 54.24 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.349 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.5 t -59.67 -47.5 85.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 47' ' ' ALA . 57.1 mm-40 -48.02 -50.17 28.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 34.29 51.37 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 47' ' ' ALA . 98.5 m-20 -34.34 -35.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -142.45 -152.19 5.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -84.34 177.51 8.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.312 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.9 mm -133.25 122.98 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.3 p -96.8 -34.48 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.186 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.22 -169.29 35.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -142.49 172.0 13.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.858 0.361 . . . . 0.0 110.949 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.418 ' CG2' ' CZ ' ' A' ' 57' ' ' TYR . 28.7 mt -139.43 131.95 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.528 HD13 ' CZ3' ' A' ' 41' ' ' TRP . 67.7 mt -111.99 134.3 54.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.418 ' CZ ' ' CG2' ' A' ' 55' ' ' ILE . 13.3 m-85 -120.92 122.61 40.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.505 ' CE1' HG12 ' A' ' 70' ' ' VAL . 3.1 p90 -134.61 151.43 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 t -171.18 144.06 2.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.41 HG21 ' CE2' ' A' ' 92' ' ' TYR . 37.7 p -49.5 -51.78 33.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.415 ' CG ' ' HB2' ' A' ' 64' ' ' ALA . 1.1 p30 -73.6 157.07 37.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.445 ' HB ' ' CE1' ' A' ' 93' ' ' TYR . 9.3 p -111.21 -25.15 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -92.91 -14.55 27.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.415 ' HB2' ' CG ' ' A' ' 61' ' ' ASP . . . -51.78 140.41 19.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -53.13 136.87 35.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.0 tp -50.2 -20.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.544 ' CD2' ' C ' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -75.38 -34.23 61.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.857 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.528 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 29.4 t0 -68.94 -31.18 69.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -59.78 151.08 26.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.505 HG12 ' CE1' ' A' ' 58' ' ' TYR . 9.5 p -78.35 150.64 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.407 ' C ' ' OE1' ' A' ' 72' ' ' GLU . 67.0 mt -104.33 116.68 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 4.8 mp0 -115.98 84.61 13.64 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.61 0.719 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 142.51 48.07 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.633 2.222 . . . . 0.0 112.357 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.4 t -112.65 121.09 64.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.1 m -75.55 168.52 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.98 -168.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -91.94 42.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.362 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -78.7 139.07 38.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.462 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 62.3 mt -110.16 1.03 18.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -129.36 139.81 51.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -126.41 154.06 44.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -123.48 109.44 13.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.1 mt -107.2 145.22 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.07 -175.83 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 63.43 38.99 9.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.7 mt -104.33 149.62 25.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.9 m -75.73 137.17 40.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 89' ' ' ASP . 17.4 mt -82.67 -179.65 7.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 24.7 t70 36.28 43.31 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.2 m -147.75 122.56 5.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 111.04 2.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.41 ' CE2' HG21 ' A' ' 60' ' ' THR . 12.5 m-85 -105.6 147.68 28.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.445 ' CE1' ' HB ' ' A' ' 62' ' ' VAL . 30.9 m-85 -112.16 126.12 54.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -113.54 152.81 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -139.92 139.1 36.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 97' ' ' GLN . 20.3 mt -112.82 144.32 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.42 ' CD ' ' HB3' ' A' ' 104' ' ' MET . 38.6 tt0 -149.91 141.74 23.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.29 158.09 16.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -154.95 145.15 21.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 102' ' ' LYS . 14.3 p-10 -127.81 -178.15 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.5 p -43.71 -22.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 100' ' ' ASN . 14.3 mmmt -83.89 -75.08 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -165.14 -155.43 8.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.535 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.42 ' HB3' ' CD ' ' A' ' 97' ' ' GLN . 29.6 mtm -93.95 176.72 6.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -124.61 -155.86 9.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.456 ' CD ' ' O ' ' A' ' 18' ' ' PRO . 53.5 Cg_endo -69.79 149.58 66.91 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 3.6 mtt -95.06 131.12 41.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.0 p -75.49 169.49 17.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -66.75 143.76 56.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.28 119.79 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.052 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 76.5 t -84.36 101.89 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -73.84 101.49 3.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -120.12 116.14 25.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -74.44 143.27 44.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 12.1 p -80.8 148.68 65.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 0.0 111.122 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -163.82 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.348 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -139.87 151.0 45.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.51 74.29 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.081 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.7 m -109.37 160.68 15.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -92.17 143.01 16.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -0.08 6.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.674 2.25 . . . . 0.0 112.377 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 t -38.3 104.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.826 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 96.2 p -47.99 141.68 5.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.45 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 m -119.83 170.66 9.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.372 . . . . 0.0 110.908 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 p -98.38 152.86 19.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.65 -60.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -52.65 129.12 28.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.928 0.394 . . . . 0.0 110.881 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 p -135.1 160.2 39.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.32 141.59 21.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 t -109.91 125.27 52.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 111.162 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.73 114.57 26.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -93.17 42.22 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.7 136.25 3.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.1 p -143.93 133.49 23.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 111.148 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.5 p -101.86 -46.23 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.19 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -58.99 145.75 40.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -148.58 173.97 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 4.0 mm? -126.9 116.12 20.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 m -53.41 154.21 6.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 111.158 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 98.68 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.734 2.289 . . . . 0.0 112.334 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 t -82.84 21.65 1.0 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 t -130.15 136.1 28.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.631 0.729 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 156.33 63.43 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.7 2.266 . . . . 0.0 112.292 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.09 51.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.627 2.218 . . . . 0.0 112.368 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.8 -176.49 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 56.19 30.43 16.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.9 t -66.98 106.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.3 p -132.76 146.59 51.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.155 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.521 HG13 ' CG ' ' A' ' 113' ' ' PHE . 61.6 t -132.6 106.43 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.6 m -112.71 165.52 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -94.62 153.2 17.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 15.5 tptp -73.7 145.9 44.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 10.4 tt0 -82.6 105.92 14.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.74 -42.12 2.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -109.08 110.89 60.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -33.27 16.5 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.644 2.229 . . . . 0.0 112.306 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -73.6 -10.48 59.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.465 HG23 ' N ' ' A' ' 37' ' ' ILE . 96.7 m -111.17 143.22 42.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.465 ' N ' HG23 ' A' ' 36' ' ' THR . 19.2 pt -142.35 162.61 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mp -122.0 138.49 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.4 t -126.9 127.9 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -116.94 166.67 11.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.454 ' CZ3' HD13 ' A' ' 56' ' ' ILE . 45.8 p90 -173.4 178.99 2.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -139.48 155.54 71.86 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.82 63.7 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 123.18 9.86 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.343 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -39.94 -33.57 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -60.44 -58.35 8.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 37.89 51.41 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' ALA . 97.6 m-20 -36.53 -29.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -146.42 166.43 28.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -55.1 108.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.1 mm -62.64 111.79 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.6 p -71.45 -39.35 71.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -175.83 -156.41 14.86 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.529 ' N ' HH12 ' A' ' 99' ' ' ARG . 0.2 OUTLIER -152.82 148.72 27.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.948 -179.84 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.66 ' N ' HH22 ' A' ' 99' ' ' ARG . 26.0 mt -123.44 144.89 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.454 HD13 ' CZ3' ' A' ' 41' ' ' TRP . 96.0 mt -115.81 127.53 73.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -108.84 123.38 48.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.57 ' C ' ' CD1' ' A' ' 58' ' ' TYR . 1.1 p90 -144.14 141.23 29.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.5 t -151.87 -176.37 5.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.1 p -96.68 27.23 4.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 62' ' ' VAL . 34.6 t0 -164.3 152.93 13.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.477 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 10.5 p -104.67 -15.81 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -94.03 -13.24 27.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.18 157.13 10.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 67' ' ' HIS . 12.3 mt-10 -83.26 135.55 34.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' GLU . 9.0 tp -34.86 -31.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' GLU . 1.8 m170 -54.03 -49.99 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.81 -34.98 79.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -54.04 121.35 7.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.548 HG11 ' CE2' ' A' ' 58' ' ' TYR . 3.6 p -57.5 154.46 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 95.7 mt -111.71 107.24 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -107.03 86.16 2.3 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.618 0.723 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 132.35 23.17 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.1 t -99.93 99.9 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.4 m -60.18 148.38 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.93 171.75 4.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 78' ' ' ARG . 3.4 p-10 -62.45 -10.34 11.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 77' ' ' ASN . 8.6 ttm-85 -34.32 145.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.451 ' O ' ' CE3' ' A' ' 41' ' ' TRP . 10.0 mt -122.57 15.3 10.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.7 t -130.56 152.77 49.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.186 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -144.49 145.76 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -112.74 116.02 29.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.465 HG21 ' CD1' ' A' ' 86' ' ' LEU . 78.6 mt -110.53 104.94 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -104.21 179.26 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 61.35 48.03 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.465 ' CD1' HG21 ' A' ' 83' ' ' ILE . 84.9 mt -106.1 178.84 4.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.7 m -102.22 146.08 28.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.2 mt -91.45 173.97 7.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.0 t70 38.75 41.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.5 m -146.76 120.46 5.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.593 0.711 . . . . 0.0 111.143 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.48 3.09 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -102.66 131.86 49.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.972 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -94.82 117.53 30.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -110.31 150.95 28.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -141.08 145.28 35.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 97' ' ' GLN . 32.3 mt -119.56 160.01 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.441 ' N ' HG22 ' A' ' 96' ' ' ILE . 2.0 pt20 -157.76 176.34 12.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.58 140.9 31.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.66 HH22 ' N ' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -138.3 154.23 49.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 99' ' ' ARG . 0.8 OUTLIER -128.25 -176.13 3.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.8 t -43.01 -25.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -81.51 -75.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -165.81 -159.68 12.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.3 mtm -92.56 177.45 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -123.43 -160.35 10.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 143.46 51.14 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 17.6 mmt -73.17 144.94 46.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.8 p -81.63 177.27 9.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -73.23 131.39 41.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.08 115.96 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 86.4 t -89.07 102.26 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -81.08 105.7 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.521 ' CG ' HG13 ' A' ' 27' ' ' VAL . 9.8 t80 -121.88 117.02 25.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -71.94 137.47 47.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.4 p -76.3 145.91 77.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.568 0.699 . . . . 0.0 111.171 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -163.49 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -138.55 161.84 36.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.92 39.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.066 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.0 t -108.95 87.66 2.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 170.78 128.12 1.0 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 178.39 4.6 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 91.9 p -53.43 166.33 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.4 m -111.81 146.43 37.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -97.69 88.32 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.905 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 t -164.12 146.28 9.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.96 82.29 1.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.2 p -173.67 172.01 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -130.94 47.56 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.828 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.51 -141.28 34.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.8 p -101.81 58.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 111.116 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.07 124.89 7.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -115.79 -61.26 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.17 71.24 0.87 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.7 p -115.83 106.78 14.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 111.13 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.3 p -110.05 16.7 21.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -157.01 154.09 29.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -108.77 175.73 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.8 mt -144.17 109.62 5.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -44.93 152.67 0.54 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.573 0.701 . . . . 0.0 111.168 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 98.55 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.676 2.25 . . . . 0.0 112.317 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 t -83.21 19.55 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.6 t -133.11 143.97 50.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 161.18 46.92 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -175.51 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -140.75 175.13 9.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 47.21 36.21 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.414 ' CG1' HD11 ' A' ' 96' ' ' ILE . 73.4 t -71.66 105.54 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -125.57 152.98 44.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.7 t -131.7 111.24 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -112.91 173.3 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 t -104.97 167.24 9.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 15.9 tptp -85.96 149.02 25.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.472 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 15.0 tt0 -78.67 100.95 7.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.9 -42.68 1.9 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -105.0 109.19 62.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.708 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -47.88 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -57.01 -16.98 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 94.6 m -101.9 136.42 41.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.3 pt -136.05 156.93 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.1 mp -121.57 118.55 56.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.3 t -95.34 120.56 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.3 OUTLIER -110.09 159.04 17.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.42 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 38.3 p90 -174.46 -179.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -139.84 156.72 70.65 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 143.74 51.92 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 163.09 39.58 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.3 t -64.54 -40.1 94.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' ALA . 28.1 mm-40 -43.27 -64.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 34.49 45.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -75.79 53.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 150.73 133.8 2.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -41.24 128.94 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.309 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.453 HG21 ' N ' ' A' ' 52' ' ' THR . 44.5 mm -79.98 142.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.453 ' N ' HG21 ' A' ' 51' ' ' ILE . 34.4 p -116.65 -37.47 3.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.61 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -172.99 -163.58 26.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 53' ' ' GLY . 4.0 m-85 -147.62 163.18 37.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.45 ' CD1' ' HE2' ' A' ' 104' ' ' MET . 39.5 mt -131.15 124.24 55.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.193 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.406 ' CD1' ' CB ' ' A' ' 81' ' ' HIS . 27.3 mt -106.94 140.81 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.436 ' CZ ' HG23 ' A' ' 55' ' ' ILE . 14.4 m-85 -125.05 129.1 49.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.533 ' CE2' HG12 ' A' ' 70' ' ' VAL . 4.7 p90 -140.11 151.42 45.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.939 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 t -172.72 157.12 3.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.495 HG21 ' CZ ' ' A' ' 92' ' ' TYR . 82.4 p -84.78 47.33 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.135 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -171.89 118.47 0.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.2 p -80.05 -28.2 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -98.39 27.41 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.84 139.54 31.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 68' ' ' ASP . 2.7 mm-40 -49.36 134.87 18.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.9 tp -41.61 -38.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.532 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.7 p-80 -61.99 -38.72 89.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.532 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 38.1 t70 -57.48 -33.4 67.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -66.57 138.61 57.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.533 HG12 ' CE2' ' A' ' 58' ' ' TYR . 9.5 p -73.77 151.76 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.42 ' C ' ' OE1' ' A' ' 72' ' ' GLU . 89.4 mt -103.23 111.8 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.462 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 1.1 mp0 -109.2 83.54 2.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.638 0.732 . . . . 0.0 110.932 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 121.79 8.48 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 97.8 t -93.52 104.98 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 36.0 m -59.91 159.78 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.04 172.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -79.29 66.46 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.47 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 3.6 tpt180 -99.0 143.84 28.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.42 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 76.3 mt -109.63 1.07 19.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.6 t -131.64 147.49 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.406 ' CB ' ' CD1' ' A' ' 56' ' ' ILE . 21.8 t60 -132.89 152.91 51.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -123.48 127.53 48.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.0 mt -126.75 118.23 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.5 ' O ' ' CG ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -109.94 -174.09 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 84' ' ' GLN . 10.9 pt-20 46.53 55.05 8.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 32.8 mt -106.91 -175.34 2.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.6 m -104.39 132.79 50.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.0 mt -90.94 177.75 6.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 65.6 t0 38.21 39.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 53.2 m -148.44 134.98 10.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.707 . . . . 0.0 111.138 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 128.75 16.49 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.382 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.495 ' CZ ' HG21 ' A' ' 60' ' ' THR . 8.3 m-85 -130.75 129.82 42.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -102.9 135.7 44.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -121.17 151.78 39.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -142.32 130.46 22.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 97' ' ' GLN . 51.2 mt -103.35 143.44 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.443 ' N ' HG22 ' A' ' 96' ' ' ILE . 18.1 tt0 -139.72 137.98 35.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -101.72 141.71 34.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.417 ' CB ' ' HA ' ' A' ' 104' ' ' MET . 11.2 ptt85 -144.12 148.18 34.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 100' ' ' ASN . 4.5 p30 -127.11 -176.48 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.4 t -40.3 -39.53 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -66.81 -75.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -164.74 -161.37 13.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.45 ' HE2' ' CD1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -97.32 -179.45 4.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.313 . . . . 0.0 110.918 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -130.76 -158.54 9.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 173.38 11.01 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.761 2.307 . . . . 0.0 112.364 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -111.47 153.31 26.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.4 p -84.68 157.6 21.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -48.84 143.33 5.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -55.84 106.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 83.1 t -82.03 103.6 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -77.09 119.26 20.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -131.61 108.78 9.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -70.98 125.44 26.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.7 p -66.93 142.99 97.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 0.0 111.109 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -163.54 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -138.34 158.3 44.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.08 42.94 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.5 t -106.65 128.57 54.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 104.55 87.62 2.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.451 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 172.68 12.24 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.4 m -82.06 167.37 18.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.1 t -119.55 131.97 55.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.448 ' N ' HD22 ' A' ' 16' ' ' LEU . 2.5 mm? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.89 0.376 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 m -47.29 153.46 0.93 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.614 0.721 . . . . 0.0 111.151 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 93.56 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.752 2.301 . . . . 0.0 112.374 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.3 t -83.8 30.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.4 p -136.85 141.99 37.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 154.59 67.61 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.375 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.84 26.25 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.665 2.244 . . . . 0.0 112.346 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -119.96 169.94 9.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 58.26 45.69 16.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.495 HG13 HD12 ' A' ' 96' ' ' ILE . 70.1 t -79.73 107.16 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.2 p -130.39 145.36 51.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.616 HG22 HG22 ' A' ' 39' ' ' VAL . 55.8 t -132.3 105.02 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.5 m -106.49 176.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.5 m -114.87 140.42 48.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 16.1 tptt -55.86 151.48 11.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.482 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 27.6 tt0 -84.58 101.18 11.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.87 -31.41 8.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.425 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 17.3 tptt -109.03 103.19 51.52 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.562 0.696 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 53.4 Cg_endo -69.82 -37.02 9.59 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.307 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -69.67 -8.77 50.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.6 m -113.2 141.18 47.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.4 pt -144.04 153.47 15.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.6 mp -115.39 133.89 60.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.616 HG22 HG22 ' A' ' 27' ' ' VAL . 99.2 t -117.74 116.17 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -105.48 157.71 17.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.773 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 36.4 p90 -163.04 175.53 11.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -140.6 155.28 69.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.575 0.702 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 144.92 55.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.633 2.222 . . . . 0.0 112.37 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 152.99 69.68 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.357 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -64.81 -45.4 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' ALA . 9.2 mt-10 -45.9 -58.51 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 34.66 52.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' ALA . 90.4 m-20 -34.43 -34.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -135.04 -131.31 3.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -111.78 -176.25 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.87 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.534 HD13 ' O ' ' A' ' 50' ' ' LYS . 48.7 mm -129.15 148.0 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.5 p -130.65 -30.41 1.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.152 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.46 -176.26 38.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.54 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.423 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 55.4 m-85 -141.96 161.7 37.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.842 0.353 . . . . 0.0 110.936 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 93.6 mt -136.34 135.4 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.773 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 87.8 mt -117.89 143.02 29.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -118.76 137.63 53.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.97 ' CE2' HG11 ' A' ' 70' ' ' VAL . 3.7 p90 -149.88 140.5 22.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.0 t -163.58 140.06 6.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.1 p -48.5 -33.86 10.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -95.89 161.94 13.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.563 ' HB ' ' CE1' ' A' ' 93' ' ' TYR . 7.1 p -116.1 -38.43 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -77.68 -5.25 49.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.32 153.89 29.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 67' ' ' HIS . 23.2 mt-10 -77.89 135.53 37.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 65' ' ' GLU . 9.1 tp -34.92 -31.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' GLU . 1.5 m-70 -53.03 -50.99 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -65.53 -35.71 81.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.592 ' CZ3' ' HE2' ' A' ' 95' ' ' LYS . 36.9 m95 -54.68 134.02 47.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.97 HG11 ' CE2' ' A' ' 58' ' ' TYR . 8.7 p -76.11 150.64 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.546 HG22 ' HD3' ' A' ' 73' ' ' PRO . 79.5 mt -107.49 112.51 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -107.12 84.18 1.58 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.686 0.755 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.546 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.2 Cg_endo -69.8 130.33 19.09 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.673 2.249 . . . . 0.0 112.306 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.585 HG11 ' HB3' ' A' ' 78' ' ' ARG . 99.0 t -100.36 136.52 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.9 m -100.92 163.4 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.18 32.72 84.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.0 p30 39.03 43.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.326 . . . . 0.0 110.905 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.585 ' HB3' HG11 ' A' ' 74' ' ' VAL . 1.1 tpt180 -73.77 149.01 42.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.478 ' HA ' ' CE2' ' A' ' 41' ' ' TRP . 35.9 mt -104.74 5.52 33.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 t -137.45 149.69 47.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -143.61 148.07 35.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.828 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.452 ' CD ' ' N ' ' A' ' 82' ' ' GLN . 2.9 mp0 -119.56 133.97 55.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.8 mt -124.27 114.97 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -108.1 175.11 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 61.44 48.13 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.3 mt -106.54 179.26 4.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.6 m -95.37 148.47 22.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.154 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.422 ' HB3' ' CE ' ' A' ' 117' ' ' LYS . 53.6 mt -97.98 168.76 10.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.1 t70 39.21 47.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.8 m -145.42 129.91 8.9 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.539 0.685 . . . . 0.0 111.164 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 108.5 2.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -110.08 130.82 55.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.563 ' CE1' ' HB ' ' A' ' 62' ' ' VAL . 5.7 m-85 -101.24 124.68 47.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -113.85 151.73 31.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.592 ' HE2' ' CZ3' ' A' ' 69' ' ' TRP . 44.5 mtmt -139.93 140.31 36.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.592 HD13 ' HB3' ' A' ' 41' ' ' TRP . 9.1 mt -120.23 141.86 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.485 ' NE2' ' HB3' ' A' ' 104' ' ' MET . 1.8 pt20 -138.46 170.3 16.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -125.84 126.18 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -124.66 143.91 50.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.6 p30 -126.67 -177.33 3.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.3 t -38.38 -41.07 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.804 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -68.06 -73.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.54 -149.57 6.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.485 ' HB3' ' NE2' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -108.43 172.07 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 110.905 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -123.51 -160.56 10.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 143.32 50.59 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 8.1 mtt -85.97 149.02 25.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.4 p -76.63 169.43 18.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -57.05 147.34 24.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.04 114.47 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.68 105.6 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.075 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -82.33 112.22 19.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -127.81 109.29 11.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.2 ttp-105 -70.9 117.68 12.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.4 p -55.74 148.18 37.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.624 0.726 . . . . 0.0 111.089 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.422 ' CE ' ' HB3' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -142.78 147.46 35.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 179.81 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.437 ' N ' HD22 ' A' ' 16' ' ' LEU . 2.8 mm? . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.882 0.372 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -51.22 153.42 3.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.665 0.745 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 94.82 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 p -76.65 7.82 4.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.4 t -116.13 137.69 23.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.67 0.747 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.28 31.5 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.366 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 164.83 33.15 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.288 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -126.87 179.75 5.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 t0 49.92 36.7 12.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.9 t -68.18 110.24 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.6 p -138.42 148.06 44.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.9 t -131.23 111.18 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 38' ' ' ILE . 28.9 m -110.17 164.67 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.4 p -106.8 153.35 22.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 16.8 tptm -84.85 150.51 24.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 32.8 tt0 -86.06 -61.8 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -45.73 -30.28 3.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' CE ' ' HB2' ' A' ' 35' ' ' LYS . 1.1 tmtm? -143.53 130.22 10.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.55 0.691 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -51.61 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.403 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HB2' ' CE ' ' A' ' 33' ' ' LYS . 37.4 mttp -59.08 -19.13 41.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.5 m -90.09 129.9 36.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.077 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.6 pt -132.51 162.14 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.475 ' O ' HG22 ' A' ' 28' ' ' VAL . 5.1 mp -128.03 120.49 53.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 65.4 t -99.0 117.57 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -103.28 151.3 22.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.604 ' CH2' HD11 ' A' ' 56' ' ' ILE . 23.8 p90 -168.29 177.79 5.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -144.16 157.64 56.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.595 0.712 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 153.2 69.17 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.383 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 146.06 59.25 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.4 t -63.91 -23.08 67.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -97.3 58.71 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 48' ' ' ASN . . . -81.66 60.49 4.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 47' ' ' ALA . 20.1 m-20 -34.24 -36.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -125.1 -164.65 11.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -101.93 132.39 47.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.725 0.298 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.824 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 10.5 mm -82.82 137.28 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.157 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 p -109.92 -31.07 7.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.471 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -170.34 -179.81 42.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.824 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 2.5 m-85 -141.09 161.43 37.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.821 0.344 . . . . 0.0 110.957 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.921 HD12 ' NH1' ' A' ' 99' ' ' ARG . 46.3 mt -138.38 117.45 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.604 HD11 ' CH2' ' A' ' 41' ' ' TRP . 26.3 mt -95.66 147.32 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -129.81 118.85 22.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.77 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 12.2 p90 -120.47 148.48 43.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.518 ' HB2' ' CD2' ' A' ' 69' ' ' TRP . 1.7 m -171.94 146.8 2.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.1 p -70.5 -14.87 62.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -100.55 120.63 40.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.509 ' O ' HG22 ' A' ' 62' ' ' VAL . 9.9 p -87.05 2.13 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -121.37 -17.85 7.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.99 140.68 4.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.611 ' HB3' ' CE1' ' A' ' 67' ' ' HIS . 6.2 mp0 -42.71 129.26 4.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.1 tp -42.82 -31.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.611 ' CE1' ' HB3' ' A' ' 65' ' ' GLU . 2.3 p-80 -83.58 -29.87 27.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' GLU . 8.8 m-20 -59.11 -27.11 65.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.518 ' CD2' ' HB2' ' A' ' 59' ' ' SER . 16.9 m95 -62.7 155.14 27.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.77 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 13.5 p -74.51 147.0 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.585 HG22 ' HD3' ' A' ' 73' ' ' PRO . 83.9 mt -99.02 120.19 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.584 ' OE1' HG13 ' A' ' 70' ' ' VAL . 4.7 mp0 -124.57 85.12 56.63 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.671 0.748 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.585 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.6 Cg_endo -69.79 148.59 65.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.315 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 60.4 t -119.97 119.0 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.3 m -79.3 164.11 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 77' ' ' ASN . . . 51.17 35.03 33.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' GLY . 0.5 OUTLIER 34.7 54.7 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.484 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 4.3 tpt180 -75.54 123.09 24.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.9 mt -75.25 -4.02 36.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 t -137.87 138.47 39.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -126.1 158.54 35.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -120.21 97.59 5.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.598 HG22 HD11 ' A' ' 86' ' ' LEU . 85.5 mt -98.77 120.02 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -123.91 -175.78 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 62.18 50.32 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.598 HD11 HG22 ' A' ' 83' ' ' ILE . 30.9 mt -118.57 174.19 6.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.424 ' O ' HG21 ' A' ' 115' ' ' THR . 22.0 m -86.49 146.72 26.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.6 mt -96.93 170.88 8.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 21.1 t0 40.48 43.87 1.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.424 HG23 ' HD2' ' A' ' 91' ' ' PRO . 93.3 m -143.45 132.97 11.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.642 0.734 . . . . 0.0 111.133 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.424 ' HD2' HG23 ' A' ' 90' ' ' THR . 53.8 Cg_endo -69.74 108.55 2.1 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -109.79 145.16 37.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -115.11 141.67 47.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -128.18 153.88 46.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -138.67 131.36 29.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.1 mt -114.54 144.66 21.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 33.4 tt0 -153.56 138.25 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.61 144.33 29.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.921 ' NH1' HD12 ' A' ' 55' ' ' ILE . 11.6 ptp180 -149.52 157.99 43.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -125.42 -175.98 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.7 t -49.28 -32.42 10.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -71.27 -68.5 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.57 -169.76 32.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.432 ' CG ' ' HD3' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -103.01 167.57 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 110.883 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.496 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -113.09 -155.82 12.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.86 49.07 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.467 ' SD ' ' NE2' ' A' ' 97' ' ' GLN . 11.4 mmt -82.77 153.13 25.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 85.4 p -84.87 162.16 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 110' ' ' ALA . 7.6 pt-20 -68.62 124.53 23.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 109' ' ' GLU . . . -35.07 144.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.0 t -117.76 102.0 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -73.35 99.87 3.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -115.45 113.53 23.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -70.99 131.75 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.424 HG21 ' O ' ' A' ' 87' ' ' THR . 19.2 p -70.01 149.61 96.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.593 0.711 . . . . 0.0 111.131 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -163.72 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.542 ' HA ' ' HZ3' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -142.1 147.02 36.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.832 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.415 HG12 ' HB2' ' A' ' 102' ' ' LYS . 20.4 m -52.05 152.99 5.05 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.629 0.728 . . . . 0.0 111.109 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.404 ' O ' ' HD2' ' A' ' 106' ' ' PRO . 53.8 Cg_endo -69.82 100.79 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.8 t -85.46 26.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 m -136.27 134.63 20.14 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.27 38.87 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.32 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.556 ' HG3' HG22 ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.77 174.39 9.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.71 -176.54 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 39.8 54.01 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 t -87.76 109.73 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.9 p -128.42 145.41 51.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.414 HG13 HG22 ' A' ' 39' ' ' VAL . 43.2 t -130.02 109.43 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.5 m -115.9 166.63 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 p -103.5 155.87 18.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -91.68 143.56 26.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -73.46 -65.92 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -37.92 -37.92 0.47 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.441 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HE2' ' CG ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -143.28 133.54 12.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.562 0.696 . . . . 0.0 110.886 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -51.09 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.42 ' CG ' ' HE2' ' A' ' 33' ' ' LYS . 24.6 mttm -52.88 -35.9 58.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.9 m -73.22 130.97 41.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.475 HD11 ' CE2' ' A' ' 94' ' ' PHE . 6.8 pt -137.17 153.64 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.631 HD12 ' N ' ' A' ' 38' ' ' ILE . 3.5 mp -112.85 134.3 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.414 HG22 HG13 ' A' ' 27' ' ' VAL . 95.1 t -121.94 108.97 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -99.67 156.33 17.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.933 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 35.7 p90 -165.83 179.02 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -141.99 153.64 64.14 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.642 0.734 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 147.51 62.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.242 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 132.49 23.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.2 m -48.63 -31.21 6.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -85.69 73.27 10.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -85.79 59.03 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' ALA . 72.5 m-80 -34.67 -32.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -141.06 171.9 23.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 100' ' ' ASN . 18.3 tttt -72.29 132.59 44.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.754 0.312 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.48 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 4.4 mm -81.14 140.54 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.8 p -119.46 -14.55 9.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.9 173.85 38.99 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.443 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.48 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 59.5 m-85 -131.15 158.48 40.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.45 HD12 ' SD ' ' A' ' 104' ' ' MET . 67.4 mt -135.52 131.01 50.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.152 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.933 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 91.0 mt -109.76 140.04 30.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -126.17 115.1 19.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.535 ' CE2' HG11 ' A' ' 70' ' ' VAL . 2.4 p90 -125.5 147.09 49.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.491 ' HB2' ' CD2' ' A' ' 69' ' ' TRP . 2.1 m -169.86 152.76 4.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.431 HG22 ' CZ ' ' A' ' 92' ' ' TYR . 17.1 p -64.9 -40.27 94.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.118 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.463 ' CG ' ' HB2' ' A' ' 64' ' ' ALA . 1.1 p30 -80.28 137.07 36.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.548 ' O ' HG22 ' A' ' 62' ' ' VAL . 14.0 p -100.84 1.37 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -116.21 -24.18 8.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.463 ' HB2' ' CG ' ' A' ' 61' ' ' ASP . . . -45.61 139.94 3.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.583 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . 2.8 mp0 -47.78 130.09 14.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 67' ' ' HIS . 6.2 tp -38.11 -41.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.583 ' CD2' ' HB3' ' A' ' 65' ' ' GLU . 13.2 p80 -65.33 -40.64 93.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.53 ' N ' ' ND1' ' A' ' 67' ' ' HIS . 28.1 t70 -52.3 -29.99 26.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.491 ' CD2' ' HB2' ' A' ' 59' ' ' SER . 12.2 m95 -64.66 160.71 19.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.535 HG11 ' CE2' ' A' ' 58' ' ' TYR . 4.3 p -79.35 144.12 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.469 HG22 ' HD3' ' A' ' 73' ' ' PRO . 80.3 mt -100.51 106.11 18.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -107.87 84.85 2.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.469 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.8 Cg_endo -69.74 150.4 68.3 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.371 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.5 t -119.36 121.38 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.8 m -76.32 155.72 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.28 169.42 0.13 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -73.21 66.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -106.55 154.39 20.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.503 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 4.3 mt -124.61 8.04 8.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 t -131.46 138.25 48.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -132.89 148.03 52.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -112.07 97.81 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.417 HD13 ' CD2' ' A' ' 58' ' ' TYR . 72.4 mt -89.58 135.13 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -126.56 -179.85 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 62.14 44.7 7.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.2 mt -109.75 153.38 24.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.805 ' O ' HG21 ' A' ' 115' ' ' THR . 0.8 OUTLIER -78.43 146.47 34.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 mt -97.7 168.69 10.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.2 t70 47.66 39.34 9.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -145.73 129.75 8.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.528 0.68 . . . . 0.0 111.154 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 111.59 2.85 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.431 ' CZ ' HG22 ' A' ' 60' ' ' THR . 9.1 m-85 -107.37 150.29 26.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -114.77 125.1 53.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.475 ' CE2' HD11 ' A' ' 37' ' ' ILE . 56.2 m-85 -113.25 150.93 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -135.99 139.06 42.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.566 HD13 ' HB3' ' A' ' 41' ' ' TRP . 10.6 mt -122.49 141.99 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.478 ' NE2' ' HB3' ' A' ' 104' ' ' MET . 0.0 OUTLIER -156.98 146.34 20.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.453 ' N ' ' HG2' ' A' ' 97' ' ' GLN . . . -98.74 163.22 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -148.77 143.08 26.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 7.8 p-10 -127.85 -177.69 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.2 m -37.58 -40.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.415 ' HB2' HG12 ' A' ' 17' ' ' VAL . 7.1 mmpt? -65.29 -75.23 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -171.68 -154.76 10.19 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.478 ' HB3' ' NE2' ' A' ' 97' ' ' GLN . 33.5 mtm -95.69 165.73 12.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -109.31 -168.01 20.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 18' ' ' PRO . 54.0 Cg_endo -69.72 138.42 37.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.357 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 13.7 mmt -66.07 131.85 47.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.3 p -65.22 163.79 14.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.14 120.61 9.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -43.36 125.28 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.8 t -99.6 113.7 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -82.58 110.81 18.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -128.27 116.04 19.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -73.8 127.84 33.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.805 HG21 ' O ' ' A' ' 87' ' ' THR . 4.6 p -63.9 149.49 93.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.615 0.722 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.409 ' HZ3' ' HA ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -141.47 146.34 36.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.781 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.854 0.359 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 m -45.86 154.01 0.6 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.456 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 54.3 Cg_endo -69.75 106.59 1.69 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.1 p -85.12 22.44 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.9 m -135.5 139.37 31.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.687 0.756 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 168.03 22.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 178.09 4.93 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -137.3 -175.94 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 45.46 33.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.4 t -67.59 114.48 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.1 p -140.45 145.58 37.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.193 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 t -129.55 118.21 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -122.93 166.64 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.8 p -116.61 129.71 56.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 tptp -47.53 152.23 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -88.79 -25.4 22.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -98.25 1.03 58.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -159.18 113.41 1.57 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.537 0.684 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -28.1 25.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.257 . . . . 0.0 112.342 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -76.53 -21.65 55.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.5 m -91.52 146.37 23.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.595 ' CD1' ' CZ ' ' A' ' 94' ' ' PHE . 19.3 pt -146.12 150.92 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.78 138.93 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.0 t -123.09 111.56 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -103.1 152.95 20.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.644 ' CH2' HD11 ' A' ' 56' ' ' ILE . 37.8 p90 -165.43 -175.64 3.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.44 ' CD ' ' HD2' ' A' ' 43' ' ' PRO . 17.5 mm-40 -140.03 159.97 62.22 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.547 0.689 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.44 ' HD2' ' CD ' ' A' ' 42' ' ' GLN . 53.6 Cg_endo -69.83 159.73 52.28 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.645 2.23 . . . . 0.0 112.308 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 149.33 67.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.282 . . . . 0.0 112.357 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.2 t -67.11 -45.76 76.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -57.51 -63.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 37.71 51.11 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -41.5 -25.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -124.02 -154.38 8.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.517 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.75 126.0 54.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.591 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 25.9 mm -69.38 146.61 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.7 p -124.51 -34.57 2.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.33 176.08 39.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.441 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.591 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 78.9 m-85 -134.83 158.3 44.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.8 mt -135.22 129.18 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.644 HD11 ' CH2' ' A' ' 41' ' ' TRP . 89.5 mt -108.43 142.46 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -127.53 125.63 40.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.629 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 1.9 p90 -140.16 156.1 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -172.25 173.89 4.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.2 p -87.92 32.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -161.11 154.33 21.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.447 ' HB ' ' CE2' ' A' ' 93' ' ' TYR . 14.5 p -107.81 -23.93 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -97.27 -17.58 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.558 ' HB1' ' CG ' ' A' ' 68' ' ' ASP . . . -48.18 147.38 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 67' ' ' HIS . 10.6 mp0 -67.15 133.99 50.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.4 tp -39.16 -26.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.6 OUTLIER -55.15 -53.06 60.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.558 ' CG ' ' HB1' ' A' ' 64' ' ' ALA . 0.6 OUTLIER -62.21 -37.48 85.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.402 ' CD1' ' OD1' ' A' ' 68' ' ' ASP . 40.6 m95 -53.07 121.46 7.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.629 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 7.0 p -66.09 153.38 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.517 HG22 ' HD3' ' A' ' 73' ' ' PRO . 84.0 mt -106.54 114.02 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -115.31 86.51 14.65 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.672 0.749 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.517 ' HD3' HG22 ' A' ' 71' ' ' ILE . 54.0 Cg_endo -69.71 142.28 47.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.5 t -108.13 106.36 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 m -62.25 161.61 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.64 178.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -80.92 57.13 2.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -102.23 139.94 37.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.512 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 8.9 mt -110.92 9.98 22.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -129.76 138.81 51.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -128.41 148.72 50.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -119.41 96.52 5.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 42.3 mt -92.47 139.65 17.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -128.76 -179.96 5.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 58.59 51.59 7.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 33.2 mt -109.77 146.37 35.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -73.01 131.8 42.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' ASP . 11.1 mt -81.87 177.76 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' LEU . 23.1 t0 36.27 45.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.563 HG23 ' HD2' ' A' ' 91' ' ' PRO . 97.0 m -148.7 136.24 10.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 111.134 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 90' ' ' THR . 53.1 Cg_endo -69.76 123.3 9.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.722 2.281 . . . . 0.0 112.309 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -123.83 126.63 46.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.447 ' CE2' ' HB ' ' A' ' 62' ' ' VAL . 5.5 m-85 -103.05 120.66 41.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.595 ' CZ ' ' CD1' ' A' ' 37' ' ' ILE . 51.4 m-85 -105.68 155.14 19.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -144.11 135.49 25.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 56.3 mt -108.61 147.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 2.6 tp-100 -145.85 132.39 19.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -103.1 123.75 47.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 100' ' ' ASN . 9.9 ttt180 -123.64 148.73 46.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.406 ' N ' ' HG3' ' A' ' 99' ' ' ARG . 13.9 p-10 -127.18 -175.71 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.4 t -44.79 -21.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -85.23 -75.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.09 -150.3 6.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 46.1 mtm -97.32 167.51 10.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.424 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -116.57 -154.72 10.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.456 ' CD ' ' O ' ' A' ' 18' ' ' PRO . 53.7 Cg_endo -69.73 142.0 46.87 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 36.4 mtt -84.18 135.94 34.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 91.7 p -71.23 170.95 11.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.49 126.13 30.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -37.92 120.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.045 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.1 t -96.28 105.05 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -81.63 109.82 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -125.68 119.06 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm-85 -75.75 131.79 40.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.9 p -73.53 148.77 88.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 111.131 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -140.49 157.86 44.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.84 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 16' ' ' LEU . 2.3 mm? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.4 m -52.25 153.04 5.33 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.729 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 96.89 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.8 p -79.78 6.26 11.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -118.97 141.25 29.86 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.699 0.762 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 169.56 18.59 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.732 2.288 . . . . 0.0 112.335 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -166.82 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -150.29 -179.64 7.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 44.65 48.6 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.0 t -77.21 116.08 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.3 p -136.68 142.02 43.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.476 HG13 HG22 ' A' ' 39' ' ' VAL . 22.6 t -131.33 106.84 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.1 m -105.72 -179.21 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -118.55 157.54 27.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 14.7 tptp -92.25 150.12 21.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 27.1 tt0 -90.55 -57.9 2.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.87 -16.3 3.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.05 119.64 2.76 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.552 0.691 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -35.55 12.47 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -77.72 10.32 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.5 m -119.48 144.58 46.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.494 HD11 ' CE2' ' A' ' 94' ' ' PHE . 9.9 pt -142.3 155.04 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.587 HD12 ' N ' ' A' ' 38' ' ' ILE . 3.7 mp -118.94 124.24 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.476 HG22 HG13 ' A' ' 27' ' ' VAL . 44.1 t -108.11 125.41 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -116.51 161.27 19.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.611 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 45.2 p90 -170.55 179.82 3.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -141.63 153.66 65.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 155.14 66.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.639 2.226 . . . . 0.0 112.31 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 140.13 42.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.242 . . . . 0.0 112.373 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -60.3 -32.46 71.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' ALA . 17.7 mt-10 -58.62 -57.19 14.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 35.87 52.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' ALA . 57.5 m-20 -35.65 -31.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -132.73 -104.14 0.89 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -145.5 176.05 9.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.812 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 41.6 mm -129.8 146.32 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.3 p -127.27 -28.91 2.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.521 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -165.46 -175.67 36.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.812 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 13.5 m-85 -146.86 175.38 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 110.921 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.574 HD11 ' HD3' ' A' ' 99' ' ' ARG . 22.1 mt -140.89 134.68 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.611 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 79.3 mt -113.83 130.78 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 3.5 m-85 -117.28 116.01 26.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.876 ' CE2' HG11 ' A' ' 70' ' ' VAL . 12.5 p90 -127.41 145.19 50.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.457 ' HB3' ' CD2' ' A' ' 69' ' ' TRP . 3.5 p -158.59 168.38 27.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.2 p -89.13 -14.8 35.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.423 ' O ' ' CZ2' ' A' ' 69' ' ' TRP . 0.5 OUTLIER -107.13 136.14 47.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.4 p -93.26 -10.49 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -109.62 -17.56 13.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.54 137.31 43.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -51.85 139.93 20.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 66' ' ' ILE . 8.1 tp -54.29 -18.74 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 67' ' ' HIS . 1.4 p-80 -78.69 -25.56 44.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -78.46 -29.28 46.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.457 ' CD2' ' HB3' ' A' ' 59' ' ' SER . 11.2 m0 -61.73 159.65 13.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.876 HG11 ' CE2' ' A' ' 58' ' ' TYR . 4.5 p -82.87 153.83 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.606 HG22 ' HD3' ' A' ' 73' ' ' PRO . 98.8 mt -108.49 116.04 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -114.09 84.32 8.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.606 ' HD3' HG22 ' A' ' 71' ' ' ILE . 54.1 Cg_endo -69.79 136.32 32.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.641 2.227 . . . . 0.0 112.395 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.8 t -104.33 121.01 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.2 m -77.67 169.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.82 -176.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -83.71 41.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -84.81 138.47 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.524 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 4.8 mt -111.01 10.71 22.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.5 t -136.04 146.04 46.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -136.77 164.86 27.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -129.18 109.75 11.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.9 mt -103.82 123.39 57.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -115.27 -176.23 2.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 62.51 38.84 12.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.4 mt -101.65 161.75 13.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.28 140.0 29.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.171 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 mt -84.88 172.41 11.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.1 t0 39.75 40.52 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.7 m -140.09 129.02 13.35 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 111.147 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 106.1 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -104.58 136.0 44.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -106.8 127.86 53.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.494 ' CE2' HD11 ' A' ' 37' ' ' ILE . 26.3 m-85 -116.84 154.72 30.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -141.02 135.58 31.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.591 HD13 ' HB3' ' A' ' 41' ' ' TRP . 9.8 mt -115.13 143.12 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.407 ' OE1' ' C ' ' A' ' 106' ' ' PRO . 22.4 tt0 -146.78 149.22 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.64 150.26 23.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.574 ' HD3' HD11 ' A' ' 55' ' ' ILE . 7.7 ptt180 -152.32 149.27 28.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.8 p30 -127.11 175.95 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -47.18 -27.49 1.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -73.43 -71.98 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -159.12 -153.51 6.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.454 ' SD ' ' CD1' ' A' ' 55' ' ' ILE . 46.5 mtm -115.78 158.58 22.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.62 -160.89 22.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.407 ' C ' ' OE1' ' A' ' 97' ' ' GLN . 53.4 Cg_endo -69.72 155.34 66.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.738 2.292 . . . . 0.0 112.321 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 7.1 mtt -98.39 145.49 26.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 t -77.51 167.86 20.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.7 pm0 -67.46 151.65 47.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.35 108.97 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.9 t -82.54 102.05 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -79.79 130.23 35.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 114' ' ' ARG . 32.5 t80 -147.36 127.28 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.429 ' O ' ' CE1' ' A' ' 113' ' ' PHE . 54.7 ttm-85 -80.86 146.17 30.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.2 p -88.76 147.26 38.78 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 111.177 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -163.82 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -139.12 151.68 46.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.828 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.3 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.839 0.352 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 m -47.23 152.03 1.15 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 101.53 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.73 2.286 . . . . 0.0 112.329 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 p -81.88 12.37 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -130.4 139.1 34.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 166.81 26.4 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 166.16 28.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.238 . . . . 0.0 112.381 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -116.65 -177.26 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 40.42 48.65 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.5 t -80.24 111.03 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.7 p -139.08 151.77 47.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.13 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.9 t -130.37 107.01 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 38' ' ' ILE . 28.8 m -104.11 177.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 m -116.72 150.95 37.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 17.2 tptp -85.63 149.55 25.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 38.1 tt0 -83.67 -67.14 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -39.04 -27.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -147.75 132.31 8.8 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.567 0.699 . . . . 0.0 110.918 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -51.99 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -59.08 -24.31 62.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 84' ' ' GLN . 97.3 m -80.31 135.86 36.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.1 pt -136.99 168.47 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.42 ' O ' HG22 ' A' ' 28' ' ' VAL . 5.3 mp -135.13 116.94 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.469 HG12 ' HE3' ' A' ' 41' ' ' TRP . 85.8 t -94.84 113.76 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.47 139.58 34.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.795 ' CH2' HD11 ' A' ' 56' ' ' ILE . 30.9 p90 -158.84 171.77 19.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -135.67 160.72 66.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 154.5 67.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 153.29 68.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.31 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.7 t -62.55 -49.77 73.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' ALA . 3.3 mm-40 -46.0 -55.59 6.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 35.85 51.81 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -76.18 52.2 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 156.15 153.92 6.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.511 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -64.53 119.78 11.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.746 0.308 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.633 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 14.0 mm -72.42 131.28 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.7 p -101.26 -39.8 7.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -171.03 178.61 43.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.633 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 38.3 m-85 -131.78 157.21 44.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.38 . . . . 0.0 110.881 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.2 mt -123.22 146.16 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.795 HD11 ' CH2' ' A' ' 41' ' ' TRP . 82.4 mt -126.39 132.02 70.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -119.52 128.7 54.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.662 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 2.5 p90 -142.29 137.3 30.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 t -158.34 140.22 13.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.0 p -49.26 -37.95 25.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.77 150.44 25.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.533 ' HB ' ' CE1' ' A' ' 93' ' ' TYR . 13.1 p -108.96 -21.94 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.427 ' OD1' HG13 ' A' ' 62' ' ' VAL . 24.7 m120 -108.24 29.22 7.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.45 135.57 41.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -48.05 134.21 14.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.3 tp -45.55 -23.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -57.94 -44.34 86.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.98 -36.41 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -54.24 133.9 44.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.663 HG13 ' OE1' ' A' ' 72' ' ' GLU . 7.6 p -70.77 152.65 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.534 HG22 ' HD3' ' A' ' 73' ' ' PRO . 95.2 mt -105.44 113.04 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.663 ' OE1' HG13 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -108.54 84.59 2.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.642 0.734 . . . . 0.0 110.886 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.534 ' HD3' HG22 ' A' ' 71' ' ' ILE . 54.1 Cg_endo -69.76 134.06 27.07 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.386 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 43.4 t -100.52 138.1 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.6 m -105.61 170.64 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.52 35.53 66.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.448 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 40.45 36.94 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 29.8 ttt180 -73.66 144.12 45.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.542 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 82.0 mt -100.05 7.23 44.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.92 156.98 47.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -144.56 145.97 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -116.76 106.97 14.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 71.8 mt -101.12 131.15 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.405 ' HG2' HG23 ' A' ' 36' ' ' THR . 23.5 mt-30 -119.5 -179.57 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 62.05 35.91 15.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.3 mt -97.17 156.3 16.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.7 ' O ' HG21 ' A' ' 115' ' ' THR . 1.9 m -76.18 147.25 38.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 89' ' ' ASP . 28.0 mt -98.57 171.04 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 88' ' ' LEU . 35.9 t70 37.54 38.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.423 HG23 ' HD2' ' A' ' 91' ' ' PRO . 25.9 m -138.86 135.13 17.43 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.608 0.718 . . . . 0.0 111.153 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.423 ' HD2' HG23 ' A' ' 90' ' ' THR . 54.0 Cg_endo -69.74 123.98 10.64 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.249 . . . . 0.0 112.384 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -128.46 136.97 51.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.608 ' HB3' ' HB1' ' A' ' 110' ' ' ALA . 16.3 m-85 -106.62 126.6 52.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -111.37 158.77 18.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.468 ' NZ ' ' HB2' ' A' ' 110' ' ' ALA . 54.7 mttm -147.76 145.59 28.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.624 HD13 ' HB3' ' A' ' 41' ' ' TRP . 6.5 mt -126.16 147.48 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 33.1 tt0 -152.41 149.84 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 97' ' ' GLN . . . -105.64 152.09 23.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -151.47 137.17 17.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 101' ' ' SER . 34.3 p30 -123.34 -177.66 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 100' ' ' ASN . 67.4 m -36.34 -45.44 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -62.9 -70.38 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -174.02 -151.41 8.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.438 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.87 173.95 6.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.48 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -119.21 -154.66 9.61 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 154.28 67.81 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 8.8 mmt -94.12 133.68 37.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.2 p -74.09 163.44 27.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -56.42 165.26 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.608 ' HB1' ' HB3' ' A' ' 93' ' ' TYR . . . -87.16 113.11 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.96 106.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -78.93 102.38 8.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -117.2 110.97 18.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -71.07 122.19 19.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.7 HG21 ' O ' ' A' ' 87' ' ' THR . 19.2 p -58.38 145.12 76.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.52 0.676 . . . . 0.0 111.182 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -163.87 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.707 2.272 . . . . 0.0 112.303 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.37 148.71 47.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.839 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.887 0.375 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.3 m -58.36 150.76 52.56 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.67 0.748 . . . . 0.0 111.14 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 101.73 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -86.59 22.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.3 p -138.5 143.48 38.54 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.671 0.748 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 161.41 46.03 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 179.32 3.73 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -130.93 178.27 6.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t70 53.32 34.33 17.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.516 HG11 HG21 ' A' ' 111' ' ' VAL . 67.6 t -73.13 117.36 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.6 p -136.97 146.66 45.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 39' ' ' VAL . 60.0 t -130.08 109.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.187 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 m -119.01 170.13 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.9 m -94.76 167.3 11.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -91.55 150.11 21.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -80.38 107.25 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.39 -46.97 1.08 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -114.46 123.24 32.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.55 0.69 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -46.35 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.724 2.283 . . . . 0.0 112.378 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -55.23 -43.39 74.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 m -71.56 129.93 39.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.42 HD11 ' CE2' ' A' ' 94' ' ' PHE . 8.0 pt -135.71 159.89 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.436 HD12 ' N ' ' A' ' 38' ' ' ILE . 5.0 mp -121.6 128.62 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 27' ' ' VAL . 71.3 t -115.92 102.15 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -92.39 155.87 17.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.558 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 21.8 p90 -166.66 -176.6 3.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -147.78 159.09 41.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 149.55 66.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 149.4 66.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.282 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' GLU . 6.5 t -53.55 -53.01 57.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ALA . 64.8 mm-40 -36.04 -53.99 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 34.21 52.31 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -75.82 48.92 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 155.25 171.84 22.28 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -85.23 113.23 21.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.74 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 35.1 mm -67.17 140.66 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.9 p -111.1 -36.81 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -164.0 -164.17 18.57 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.74 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 10.8 m-85 -154.34 143.75 21.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.962 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.473 ' CG2' ' CZ ' ' A' ' 57' ' ' TYR . 59.1 mt -112.16 137.52 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.558 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 83.9 mt -113.83 137.73 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.473 ' CZ ' ' CG2' ' A' ' 55' ' ' ILE . 9.0 m-85 -125.68 125.78 43.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.553 ' CE2' HG11 ' A' ' 70' ' ' VAL . 3.8 p90 -140.44 143.51 35.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -163.56 156.52 18.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.9 p -78.02 0.95 22.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.515 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 16.4 t0 -119.93 119.93 34.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.804 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.16 -32.21 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -90.12 14.15 13.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.515 ' HB2' ' HB3' ' A' ' 61' ' ' ASP . . . -85.26 143.32 28.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.524 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . 0.8 OUTLIER -57.07 134.77 56.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.0 tp -42.89 -35.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.524 ' CD2' ' HB3' ' A' ' 65' ' ' GLU . 2.6 p80 -62.58 -40.38 96.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.435 ' N ' ' ND1' ' A' ' 67' ' ' HIS . 9.9 t0 -62.31 -33.4 74.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -59.31 134.31 56.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.553 HG11 ' CE2' ' A' ' 58' ' ' TYR . 3.3 p -59.89 149.46 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.622 HG22 ' HD3' ' A' ' 73' ' ' PRO . 89.9 mt -106.08 116.01 48.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.19 85.4 18.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.622 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.85 140.24 41.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.558 HG11 ' HB3' ' A' ' 78' ' ' ARG . 96.2 t -109.66 137.58 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -104.84 162.89 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.83 34.98 91.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 37.19 54.6 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.558 ' HB3' HG11 ' A' ' 74' ' ' VAL . 2.2 tpt180 -85.17 137.76 32.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 90.9 mt -93.46 4.11 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.6 t -138.88 148.25 43.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -140.61 140.02 35.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -104.88 132.04 51.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 71.9 mt -131.79 126.13 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -126.09 -177.28 3.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 64.15 49.94 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 mt -119.05 171.27 8.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.22 154.53 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.7 mt -104.66 162.78 12.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.8 t70 47.93 45.14 18.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.43 HG23 ' HD2' ' A' ' 91' ' ' PRO . 99.9 m -143.06 133.18 12.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.6 0.714 . . . . 0.0 111.115 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 90' ' ' THR . 53.5 Cg_endo -69.79 101.15 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -103.01 138.91 39.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.426 ' CE2' ' OE1' ' A' ' 112' ' ' GLN . 15.5 m-85 -109.07 136.96 47.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 37' ' ' ILE . 60.9 m-85 -122.13 160.13 25.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -145.75 149.9 35.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.557 HD13 ' HB3' ' A' ' 41' ' ' TRP . 11.0 mt -129.35 142.63 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 34.5 tt0 -139.08 148.04 42.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -116.12 140.72 49.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.545 ' NH2' ' N ' ' A' ' 54' ' ' TYR . 0.9 OUTLIER -138.52 150.48 46.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.872 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 102' ' ' LYS . 35.7 p30 -120.17 174.84 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.7 t -41.19 -24.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.8 OUTLIER -79.96 -71.93 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -165.07 -166.07 23.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.44 167.52 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.479 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -107.89 -158.19 20.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -164.15 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.249 . . . . 0.0 112.381 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 20.7 mmt -117.2 139.67 50.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 109' ' ' GLU . 5.1 t -76.38 177.2 7.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.434 ' N ' ' OG ' ' A' ' 108' ' ' SER . 17.1 mt-10 -76.15 136.36 39.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.9 113.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.516 HG21 HG11 ' A' ' 25' ' ' VAL . 85.7 t -87.27 102.9 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.426 ' OE1' ' CE2' ' A' ' 93' ' ' TYR . 22.6 tt0 -77.67 120.95 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -134.99 118.86 17.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -71.7 125.93 28.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 18.6 p -67.47 151.46 97.14 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.715 . . . . 0.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.268 . . . . 0.0 112.37 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.52 151.13 41.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 m -56.48 147.22 50.6 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.569 0.7 . . . . 0.0 111.185 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 108.2 2.02 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -88.51 15.76 7.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.2 t -122.04 136.27 26.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.694 0.759 . . . . 0.0 110.838 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 166.69 26.72 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.714 2.276 . . . . 0.0 112.365 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 164.74 33.35 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.27 . . . . 0.0 112.348 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -127.02 177.38 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 51.91 42.45 30.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.625 HG11 HG21 ' A' ' 111' ' ' VAL . 54.3 t -72.55 107.6 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 p -127.88 139.61 52.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.599 HG13 HG22 ' A' ' 39' ' ' VAL . 25.5 t -129.99 113.25 25.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.77 168.81 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 t -108.89 144.68 36.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.799 ' HE2' HG21 ' A' ' 36' ' ' THR . 0.3 OUTLIER -55.34 151.85 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 27.3 tt0 -87.26 81.33 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 133.41 -25.05 3.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.11 111.26 26.79 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.531 0.681 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.442 ' CB ' ' HG2' ' A' ' 116' ' ' PRO . 53.9 Cg_endo -69.76 -40.88 4.8 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.64 2.227 . . . . 0.0 112.381 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -60.2 -16.34 32.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.799 HG21 ' HE2' ' A' ' 30' ' ' LYS . 76.6 m -106.29 136.12 46.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.49 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 23.0 pt -142.18 144.3 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.425 HD12 ' N ' ' A' ' 38' ' ' ILE . 4.4 mp -107.63 140.95 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.599 HG22 HG13 ' A' ' 27' ' ' VAL . 84.8 t -125.23 105.17 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -99.56 121.64 41.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.554 ' CE3' ' O ' ' A' ' 79' ' ' LEU . 42.2 p90 -129.65 179.12 6.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -134.44 154.75 79.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.606 0.717 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 153.23 69.44 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.721 2.28 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 150.05 67.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.0 t -63.16 -37.27 86.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -89.9 65.94 6.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -57.45 -45.07 85.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.08 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 40.21 25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . 167.33 155.36 9.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 tttp -72.55 110.45 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.781 0.324 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.682 HD13 ' OD1' ' A' ' 100' ' ' ASN . 17.3 mm -66.15 110.34 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.0 p -75.07 -41.91 57.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.627 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -167.23 -154.04 8.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.63 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 2.3 m-85 -156.78 158.85 37.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.838 0.352 . . . . 0.0 110.925 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.8 mt -128.78 143.19 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 62.1 mt -117.22 135.67 56.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -123.91 130.83 53.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.707 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 13.0 p90 -147.71 157.53 43.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 t -167.65 167.73 13.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.6 p -84.6 32.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 62' ' ' VAL . 27.2 t0 -169.88 152.21 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.487 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 5.6 p -103.09 -7.4 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -100.25 -16.66 17.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.27 142.11 13.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.9 OUTLIER -60.24 131.71 51.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' GLU . 10.7 tp -37.21 -34.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.693 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.1 p-80 -66.15 -45.07 82.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.693 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 18.9 m-20 -56.21 -30.76 62.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.524 ' CZ3' ' HE2' ' A' ' 95' ' ' LYS . 22.3 m95 -62.11 136.06 57.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.707 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 11.8 p -68.85 151.25 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.441 ' C ' ' OE1' ' A' ' 72' ' ' GLU . 65.3 mt -108.92 113.09 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.534 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -107.51 85.46 2.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.89 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 121.41 8.1 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.359 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.5 t -95.16 125.28 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.1 m -78.07 164.63 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.53 -177.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -86.41 42.38 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -84.74 135.07 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.554 ' O ' ' CE3' ' A' ' 41' ' ' TRP . 4.7 mt -105.47 8.81 33.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -126.81 139.67 52.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -134.2 142.66 47.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -114.98 105.54 13.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.5 mt -100.17 132.46 45.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.408 ' HG2' HG23 ' A' ' 36' ' ' THR . 5.3 mt-30 -123.78 -175.28 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 58.71 31.46 21.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.8 mt -92.09 159.59 15.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.547 ' O ' HG21 ' A' ' 115' ' ' THR . 1.1 m -77.79 167.52 21.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.485 ' H ' HG22 ' A' ' 87' ' ' THR . 6.1 mt -121.12 168.21 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.6 t70 47.14 33.99 2.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.812 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 94.0 m -142.59 131.43 11.77 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 121.46 8.16 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.368 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -119.42 130.84 55.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -101.3 125.09 47.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.49 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 65.1 m-85 -109.73 153.09 24.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.524 ' HE2' ' CZ3' ' A' ' 69' ' ' TRP . 25.8 mtmt -137.54 139.31 40.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.422 HD13 ' HB3' ' A' ' 41' ' ' TRP . 12.9 mt -118.85 140.36 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -145.11 142.01 29.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -104.21 141.75 35.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.441 ' CB ' ' HG2' ' A' ' 104' ' ' MET . 19.0 ptt180 -144.91 148.63 34.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.682 ' OD1' HD13 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -122.71 -177.63 3.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.9 t -45.14 -42.04 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -60.26 -71.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -161.11 -152.16 6.51 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.441 ' HG2' ' CB ' ' A' ' 99' ' ' ARG . 33.1 mtm -112.04 159.63 18.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.29 -167.01 22.95 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.3 47.59 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.732 2.288 . . . . 0.0 112.311 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -77.25 154.2 33.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 109' ' ' GLU . 9.3 t -82.75 175.73 9.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.416 ' N ' ' OG ' ' A' ' 108' ' ' SER . 31.4 mm-40 -74.67 145.62 43.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.02 117.24 3.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.625 HG21 HG11 ' A' ' 25' ' ' VAL . 94.3 t -95.1 108.29 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -77.73 121.69 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -138.95 110.56 7.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -71.69 135.7 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.547 HG21 ' O ' ' A' ' 87' ' ' THR . 2.8 p -76.68 143.41 71.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.564 0.697 . . . . 0.0 111.114 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.442 ' HG2' ' CB ' ' A' ' 34' ' ' PRO . 53.6 Cg_endo -69.76 -163.66 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.411 ' HA ' ' CE ' ' A' ' 117' ' ' LYS . 5.1 mmpt? -136.89 163.42 30.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.849 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.869 0.366 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -52.24 153.86 4.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.686 0.755 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.474 ' HD3' ' ND2' ' A' ' 100' ' ' ASN . 53.3 Cg_endo -69.81 94.95 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.4 t -86.89 25.14 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.6 t -128.12 139.77 36.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.655 0.74 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 159.85 51.9 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.644 2.229 . . . . 0.0 112.384 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 171.53 14.23 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.401 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -125.59 -178.78 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 47.16 36.16 4.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.475 HG13 HD12 ' A' ' 96' ' ' ILE . 92.9 t -69.51 110.01 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.6 p -138.59 150.02 45.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.402 ' CG2' HG11 ' A' ' 111' ' ' VAL . 84.8 t -132.68 111.86 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 38' ' ' ILE . 17.4 m -104.96 -177.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 t -126.79 153.38 45.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -94.62 109.8 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -58.12 -39.29 78.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.33 -18.26 74.98 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.418 ' CE ' ' HB2' ' A' ' 35' ' ' LYS . 12.7 tptm -146.72 106.41 4.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.596 0.712 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -23.5 30.6 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HB2' ' CE ' ' A' ' 33' ' ' LYS . 62.7 mttm -87.35 3.28 47.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.1 m -127.47 153.6 46.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.538 HD11 ' CE2' ' A' ' 94' ' ' PHE . 8.5 pt -143.31 164.14 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.483 HD12 ' N ' ' A' ' 38' ' ' ILE . 4.6 mp -125.97 122.85 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.9 t -103.83 118.68 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.3 OUTLIER -107.08 146.7 30.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.546 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 28.7 p90 -163.23 -176.32 4.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -147.96 161.4 34.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.566 0.698 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.36 66.99 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.713 2.275 . . . . 0.0 112.345 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 158.3 57.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.395 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.9 t -69.78 -37.24 76.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.66 72.87 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -85.39 53.78 2.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -38.03 -28.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -138.5 147.5 19.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 tttm -53.4 138.45 33.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.442 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 24.0 mm -90.38 144.2 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.2 p -120.91 -30.1 4.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.8 -166.01 31.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.442 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 64.7 m-85 -148.34 163.69 36.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.686 HD11 ' HD3' ' A' ' 99' ' ' ARG . 28.2 mt -126.86 131.08 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 73.9 mt -109.42 140.12 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -126.29 123.5 38.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.537 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 1.8 p90 -139.08 150.3 45.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.6 t -170.65 164.0 8.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 78.9 p -87.65 45.86 1.32 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.486 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 2.7 m-20 -172.61 128.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.4 p -86.04 -36.55 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -90.28 25.21 2.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.486 ' HB2' ' HB3' ' A' ' 61' ' ' ASP . . . -94.89 132.36 39.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.477 ' HB2' ' CE1' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -47.66 131.68 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tp -43.81 -26.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.668 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.4 p-80 -65.56 -41.58 92.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.668 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 5.8 m-20 -64.94 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.453 ' CH2' ' HE3' ' A' ' 95' ' ' LYS . 16.2 m95 -62.86 143.01 58.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.537 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 5.2 p -76.34 153.03 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.405 HG22 ' HD3' ' A' ' 73' ' ' PRO . 78.7 mt -109.31 106.96 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -108.3 87.36 4.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD3' HG22 ' A' ' 71' ' ' ILE . 54.0 Cg_endo -69.81 140.63 42.97 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.7 t -105.62 119.41 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -76.46 169.45 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.88 -171.39 0.13 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -91.54 43.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -85.78 141.51 29.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 13.8 mt -112.51 8.48 19.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.4 t -132.26 136.98 47.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -125.58 147.17 49.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -117.39 105.12 11.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.5 mt -100.9 125.23 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -114.0 -175.07 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.422 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER 60.5 44.7 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.4 mt -111.47 140.41 46.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.515 ' CG2' ' HB ' ' A' ' 90' ' ' THR . 0.6 OUTLIER -61.76 175.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.476 ' N ' HG23 ' A' ' 87' ' ' THR . 14.4 mt -111.05 165.58 11.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 88' ' ' LEU . 28.2 t0 35.82 54.97 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.515 ' HB ' ' CG2' ' A' ' 87' ' ' THR . 19.1 m -141.31 129.44 12.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.582 0.706 . . . . 0.0 111.154 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 109.32 2.28 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.743 2.295 . . . . 0.0 112.343 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.428 ' HE1' HG22 ' A' ' 87' ' ' THR . 9.1 m-85 -108.17 144.09 36.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -120.01 116.29 25.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.962 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.538 ' CE2' HD11 ' A' ' 37' ' ' ILE . 9.8 m-85 -107.61 156.91 18.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.453 ' HE3' ' CH2' ' A' ' 69' ' ' TRP . 12.9 mttp -141.49 128.11 20.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.475 HD12 HG13 ' A' ' 25' ' ' VAL . 30.7 mt -105.31 146.04 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 19.7 tt0 -146.3 141.51 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -103.33 132.05 49.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.686 ' HD3' HD11 ' A' ' 55' ' ' ILE . 6.9 ptt180 -139.96 149.51 43.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.474 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 18.0 p30 -119.09 -177.6 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -54.77 -20.98 9.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -79.2 -72.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.75 -163.99 11.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.49 ' SD ' ' CD1' ' A' ' 55' ' ' ILE . 66.4 mtm -112.87 145.14 41.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.429 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -90.57 -170.7 43.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 165.27 31.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.375 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 28.4 mtt -98.46 141.62 31.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.3 p -76.62 168.64 19.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -57.54 149.02 22.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.38 114.2 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.402 HG11 ' CG2' ' A' ' 27' ' ' VAL . 75.6 t -83.17 109.28 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.142 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -88.56 117.12 27.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -140.2 122.58 16.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -78.81 144.79 34.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.3 p -79.12 152.17 76.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.581 0.705 . . . . 0.0 111.151 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -163.95 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.334 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -136.59 161.05 36.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.859 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.507 ' N ' HD22 ' A' ' 16' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.4 m -53.68 152.71 9.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 111.118 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 96.5 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -81.41 14.32 2.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 p -122.48 139.44 30.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 164.58 34.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.266 . . . . 0.0 112.341 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -172.2 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.625 2.217 . . . . 0.0 112.364 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -148.45 168.82 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 60.46 39.38 18.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.415 HG22 HD12 ' A' ' 96' ' ' ILE . 55.7 t -74.8 109.92 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.6 p -130.74 147.72 52.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.07 107.3 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.443 HG23 ' HB ' ' A' ' 38' ' ' ILE . 13.0 m -109.19 163.85 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.6 p -90.3 171.4 9.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HB2' HG22 ' A' ' 36' ' ' THR . 13.4 tptm -97.78 145.48 26.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 11.7 tp10 -80.81 107.74 13.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 117.4 -42.1 1.93 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HE2' ' CD ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -125.93 125.08 24.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 110.9 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -52.12 0.35 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.746 2.297 . . . . 0.0 112.325 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.476 ' CD ' ' HE2' ' A' ' 33' ' ' LYS . 51.4 mttt -46.73 -38.5 10.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.526 HG22 ' HB2' ' A' ' 30' ' ' LYS . 74.9 m -78.7 128.88 34.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.408 HD11 ' CE2' ' A' ' 94' ' ' PHE . 10.8 pt -137.13 147.73 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.443 ' HB ' HG23 ' A' ' 28' ' ' VAL . 4.9 mp -105.89 121.66 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.2 t -102.25 102.97 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.87 153.49 17.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.742 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 19.1 p90 -169.34 179.95 3.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -143.65 154.52 59.62 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.613 0.72 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 160.24 50.43 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.273 . . . . 0.0 112.34 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 141.96 46.66 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.716 2.278 . . . . 0.0 112.328 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -57.1 -34.35 68.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -87.47 72.43 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -80.2 60.02 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ALA . 92.4 m-20 -35.31 -33.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -128.58 -126.97 2.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -138.81 120.16 14.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.32 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.466 HG21 ' CE2' ' A' ' 54' ' ' TYR . 11.1 mm -78.15 119.42 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.03 2.63 5.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.6 137.68 5.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.466 ' CE2' HG21 ' A' ' 51' ' ' ILE . 26.0 m-85 -123.54 157.06 34.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.925 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.501 ' CD1' ' SD ' ' A' ' 104' ' ' MET . 11.2 mt -136.12 133.01 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.742 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 93.2 mt -115.86 126.19 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -111.83 124.52 52.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.546 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 2.2 p90 -138.18 149.8 46.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -170.12 174.24 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.8 p -96.57 36.65 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.471 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 2.9 m-20 -158.85 127.37 5.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.426 ' HB ' ' CE2' ' A' ' 93' ' ' TYR . 2.8 p -89.18 -31.56 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -95.92 27.79 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.471 ' HB2' ' HB3' ' A' ' 61' ' ' ASP . . . -101.92 142.53 33.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.557 ' OE1' ' CD2' ' A' ' 67' ' ' HIS . 47.8 mt-10 -61.66 137.94 58.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.4 tp -42.01 -26.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.557 ' CD2' ' OE1' ' A' ' 65' ' ' GLU . 1.2 m-70 -56.71 -46.61 81.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -65.96 -33.7 76.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.806 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -61.69 138.83 58.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.546 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 8.1 p -76.61 153.56 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.418 HG22 ' HD3' ' A' ' 73' ' ' PRO . 55.4 mt -107.62 110.4 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -109.87 85.4 4.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.665 0.745 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.418 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.6 Cg_endo -69.81 125.79 12.53 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 38.3 t -90.52 148.04 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.0 m -107.31 171.18 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.66 38.16 14.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.523 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.1 p30 39.66 36.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.445 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 30.4 ttt180 -69.32 136.66 52.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.538 ' O ' ' CE3' ' A' ' 41' ' ' TRP . 40.8 mt -92.17 -3.18 55.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.7 t -127.53 139.53 52.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -132.92 133.7 43.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.43 ' N ' ' OE1' ' A' ' 82' ' ' GLN . 7.4 mp0 -97.12 119.37 35.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.7 mt -114.73 121.59 67.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -118.06 -175.66 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 59.79 33.4 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 86' ' ' LEU . 17.6 mt -93.96 164.36 13.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.55 ' O ' HG21 ' A' ' 115' ' ' THR . 12.6 m -88.39 140.87 29.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.471 HD21 ' HG3' ' A' ' 35' ' ' LYS . 10.6 mt -90.2 163.57 14.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 28.2 t70 49.15 44.22 22.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.9 m -148.72 125.74 5.49 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.562 0.696 . . . . 0.0 111.141 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 108.91 2.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -108.06 124.85 50.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.426 ' CE2' ' HB ' ' A' ' 62' ' ' VAL . 1.9 m-85 -87.6 126.23 34.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.408 ' CE2' HD11 ' A' ' 37' ' ' ILE . 77.0 m-85 -112.48 146.37 38.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.435 ' HZ1' ' HB2' ' A' ' 110' ' ' ALA . 24.1 mttm -135.06 151.32 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.532 HD13 ' HB3' ' A' ' 41' ' ' TRP . 19.7 mt -132.32 145.52 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -143.44 154.58 43.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.86 129.38 56.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -133.84 143.62 48.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -124.84 177.42 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.8 m -47.51 -21.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 3.6 mptt -81.0 -62.57 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -172.88 -151.29 7.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.501 ' SD ' ' CD1' ' A' ' 55' ' ' ILE . 5.5 mtm -123.19 158.55 30.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.84 -162.63 24.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 151.58 69.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -75.11 150.38 38.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.0 p -87.03 173.73 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -70.3 143.13 52.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.435 ' HB2' ' HZ1' ' A' ' 95' ' ' LYS . . . -68.84 120.81 15.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.5 t -96.27 107.35 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -78.15 100.72 6.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -110.67 115.55 29.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -72.29 120.07 17.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.55 HG21 ' O ' ' A' ' 87' ' ' THR . 19.4 p -60.07 146.44 82.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 111.103 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -163.62 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.295 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -140.75 161.82 36.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.803 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.838 0.351 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 m -41.24 154.2 0.23 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 0.0 111.124 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.444 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 53.4 Cg_endo -69.77 100.03 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.3 t -84.35 26.36 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.8 t -131.67 136.53 28.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 157.49 60.14 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.302 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HG3' HG22 ' A' ' 96' ' ' ILE . 53.4 Cg_endo -69.83 156.18 63.81 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.649 2.233 . . . . 0.0 112.35 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -116.98 173.97 6.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.2 t0 60.7 33.51 20.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.479 HG13 HD12 ' A' ' 96' ' ' ILE . 96.9 t -69.32 116.02 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -142.81 139.77 31.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.535 HG22 HG22 ' A' ' 39' ' ' VAL . 94.2 t -127.8 111.04 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.7 m -109.49 179.58 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.0 p -119.59 147.33 44.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HB2' HD11 ' A' ' 38' ' ' ILE . 26.6 tttm -91.57 133.95 35.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 32' ' ' GLY . 52.5 tt0 -73.47 -66.64 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' GLU . . . -37.51 -35.51 0.2 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.5 ' CE ' ' HB2' ' A' ' 35' ' ' LYS . 1.3 tmtm? -141.91 118.91 7.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.594 0.711 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -39.29 6.53 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.317 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.5 ' HB2' ' CE ' ' A' ' 33' ' ' LYS . 40.1 mttp -68.0 -2.35 7.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.0 m -114.2 138.53 50.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 94' ' ' PHE . 7.5 pt -135.41 159.25 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.727 HD12 ' N ' ' A' ' 38' ' ' ILE . 2.1 mp -121.5 137.04 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.535 HG22 HG22 ' A' ' 27' ' ' VAL . 91.1 t -127.35 116.14 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -103.07 158.16 16.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.602 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 27.1 p90 -170.29 178.2 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -138.72 159.38 67.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.9 66.31 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 139.21 39.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.715 2.277 . . . . 0.0 112.377 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.2 t -60.46 -39.3 87.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -87.51 77.2 8.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -106.35 68.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 47' ' ' ALA . 9.3 m120 -35.2 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -118.22 -152.16 9.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.437 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -114.11 137.86 51.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.755 0.312 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.9 mm -85.71 142.22 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.0 p -129.4 -31.2 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.2 179.2 38.53 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -140.47 167.93 21.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.351 . . . . 0.0 110.925 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.495 ' CG2' ' CZ ' ' A' ' 57' ' ' TYR . 61.7 mt -138.41 124.72 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.098 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.602 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 97.9 mt -104.91 140.32 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.495 ' CZ ' ' CG2' ' A' ' 55' ' ' ILE . 11.0 m-85 -125.54 129.81 50.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.537 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 3.0 p90 -144.1 141.07 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.0 t -157.95 146.54 19.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.825 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.9 p -53.68 -31.92 49.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -98.39 144.06 28.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.93 -16.58 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.071 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.53 -16.65 22.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.99 151.55 6.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' HIS . 31.3 mt-10 -74.41 136.92 42.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 65' ' ' GLU . 7.6 tp -36.12 -32.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' GLU . 2.3 m170 -54.68 -49.04 71.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.97 -36.21 83.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.503 ' CZ3' ' HE2' ' A' ' 95' ' ' LYS . 30.9 m95 -55.55 132.5 48.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.537 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 8.4 p -67.17 155.67 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.447 HG22 ' HD3' ' A' ' 73' ' ' PRO . 91.5 mt -110.55 109.58 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -108.07 86.18 3.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.617 0.722 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.447 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.7 Cg_endo -69.79 133.24 25.04 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.0 t -105.75 106.28 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.5 m -55.47 170.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.92 -165.5 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' ARG . 13.8 t30 -91.3 8.22 37.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' ASN . 8.2 ttm-85 -37.17 150.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.428 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 38.0 mt -120.19 6.23 10.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 t -135.57 150.14 49.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -137.94 146.76 43.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -117.54 96.47 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.408 HD13 ' CD2' ' A' ' 58' ' ' TYR . 64.3 mt -88.35 118.22 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -108.44 -177.93 3.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 59.78 41.54 18.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.1 mt -102.1 163.37 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.542 ' O ' HG21 ' A' ' 115' ' ' THR . 24.0 m -83.12 158.06 22.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.462 ' N ' HG22 ' A' ' 87' ' ' THR . 29.3 mt -104.76 161.05 14.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.432 ' HB2' ' NZ ' ' A' ' 117' ' ' LYS . 33.2 t70 43.4 46.0 5.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.6 m -142.6 130.74 11.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.571 0.7 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 107.18 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.724 2.283 . . . . 0.0 112.35 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -107.49 140.22 40.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -107.97 122.4 46.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.953 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.543 ' CZ ' ' CD1' ' A' ' 37' ' ' ILE . 82.3 m-85 -109.48 154.6 22.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.503 ' HE2' ' CZ3' ' A' ' 69' ' ' TRP . 26.1 mtmt -143.63 139.02 29.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.479 HD12 HG13 ' A' ' 25' ' ' VAL . 19.6 mt -111.55 146.34 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.436 ' CD ' ' HB3' ' A' ' 104' ' ' MET . 36.9 tt0 -153.07 140.58 19.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.57 156.7 17.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -153.66 148.94 27.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.6 p30 -128.04 -179.12 4.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.2 m -44.95 -23.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.89 -75.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -162.18 -158.95 9.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.436 ' HB3' ' CD ' ' A' ' 97' ' ' GLN . 19.4 mtm -96.11 173.48 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -117.41 -149.72 9.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.444 ' CD ' ' O ' ' A' ' 18' ' ' PRO . 53.4 Cg_endo -69.76 172.8 11.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 10.4 mtt -119.85 131.74 55.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 98.7 p -71.71 167.54 19.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.813 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -67.7 140.59 56.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.75 108.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.8 t -84.55 106.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -81.0 117.11 21.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -129.36 133.54 47.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -85.74 138.3 32.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.542 HG21 ' O ' ' A' ' 87' ' ' THR . 9.6 p -81.03 148.65 64.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 111.118 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -163.74 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 89' ' ' ASP . 5.8 mmpt? -137.5 152.15 49.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.77 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.851 0.357 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.4 m -47.31 153.6 0.92 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.618 0.723 . . . . 0.0 111.17 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 104.49 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.5 t -85.79 24.88 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 t -132.37 138.27 31.83 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.728 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 167.45 24.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.719 2.279 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 179.41 3.74 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.296 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.63 -179.94 6.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.7 t0 48.26 43.53 19.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.459 HG22 HD12 ' A' ' 96' ' ' ILE . 49.7 t -73.41 117.98 18.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 p -139.15 141.84 38.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.4 t -130.89 113.96 25.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.0 m -122.8 165.58 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.4 p -93.44 158.52 15.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.519 ' HB2' HD11 ' A' ' 38' ' ' ILE . 22.3 tttm -90.08 138.96 31.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -75.53 114.25 13.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.73 -45.53 1.28 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.83 117.46 28.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.596 0.712 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -51.82 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -48.72 -23.0 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.413 HG21 ' HD3' ' A' ' 30' ' ' LYS . 89.1 m -93.57 141.06 28.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.089 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.498 ' C ' HD12 ' A' ' 38' ' ' ILE . 7.2 pt -144.05 157.6 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.641 HD12 ' N ' ' A' ' 38' ' ' ILE . 3.3 mp -118.9 135.18 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 82.6 t -124.09 108.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -99.41 157.54 16.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.509 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 36.3 p90 -161.17 179.66 8.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -139.13 152.73 70.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 150.94 68.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 143.91 52.54 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.353 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.3 m -62.84 -23.68 67.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -102.43 73.82 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.31 64.47 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -38.61 -35.75 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -113.83 -173.62 18.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -93.71 137.81 32.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.716 0.294 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.419 HG21 ' OH ' ' A' ' 54' ' ' TYR . 10.1 mm -79.31 138.81 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.172 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.2 p -123.01 -36.7 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.63 -176.9 36.02 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.419 ' OH ' HG21 ' A' ' 51' ' ' ILE . 82.7 m-85 -140.22 169.64 17.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 0.0 110.861 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.582 HD11 ' HD3' ' A' ' 99' ' ' ARG . 52.5 mt -138.57 136.15 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.135 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.509 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 95.0 mt -117.53 132.5 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 3.0 m-85 -118.69 121.58 40.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.707 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 5.7 p90 -135.53 137.6 42.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.1 t -156.03 151.94 27.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.3 p -62.15 -29.12 70.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -93.34 151.26 19.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.3 p -109.35 -20.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -99.22 -15.09 19.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.24 142.52 42.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -61.26 136.13 57.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.8 tp -42.04 -27.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -54.49 -46.61 73.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.24 -34.36 76.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -55.94 126.84 27.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.707 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 8.7 p -60.47 153.06 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 53.3 mt -110.04 112.11 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -107.19 84.54 1.72 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.58 0.705 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 133.4 25.38 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.313 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.529 HG11 ' HB3' ' A' ' 78' ' ' ARG . 22.5 t -114.36 150.33 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.0 m -122.68 -176.31 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 78' ' ' ARG . . . 56.31 41.6 87.5 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 76' ' ' GLY . 25.2 p30 36.95 31.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.529 ' HB3' HG11 ' A' ' 74' ' ' VAL . 3.7 tpt85 -65.07 134.93 54.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.466 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 64.1 mt -100.76 2.67 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 t -138.41 146.82 42.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -132.13 136.81 47.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -104.58 101.71 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.8 mt -96.26 143.45 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.11 -178.77 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 62.51 47.83 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.8 mt -112.99 165.72 12.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.727 ' O ' HG21 ' A' ' 115' ' ' THR . 1.3 m -85.56 150.57 24.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mt -99.41 172.79 7.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.1 t0 44.82 32.2 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.5 m -141.02 123.78 9.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 111.187 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.78 3.49 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.331 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -105.59 139.98 39.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -103.68 125.4 50.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -111.84 170.35 8.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -152.79 140.6 20.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' A' ' 41' ' ' TRP . 16.9 mt -118.56 150.2 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -159.62 149.41 18.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -110.48 146.47 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.582 ' HD3' HD11 ' A' ' 55' ' ' ILE . 6.8 ptt180 -150.94 151.87 32.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 101' ' ' SER . 34.0 p30 -124.6 172.96 8.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 100' ' ' ASN . 50.2 m -36.18 -36.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -65.64 -74.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -163.08 -165.16 19.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.463 ' HA ' ' CB ' ' A' ' 99' ' ' ARG . 0.9 OUTLIER -100.58 160.34 14.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.45 -156.4 21.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 152.01 69.1 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 18.3 mtt -91.2 154.61 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 109' ' ' GLU . 6.3 t -93.75 177.5 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.439 ' N ' ' OG ' ' A' ' 108' ' ' SER . 21.6 mt-10 -71.97 153.97 41.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.75 116.27 10.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.427 HG21 HG11 ' A' ' 25' ' ' VAL . 90.1 t -82.46 111.68 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.26 115.06 23.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -137.16 119.84 16.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.1 ttp85 -75.08 138.37 42.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.727 HG21 ' O ' ' A' ' 87' ' ' THR . 7.8 p -76.72 147.04 77.44 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.614 0.721 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -163.67 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.656 2.237 . . . . 0.0 112.322 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -139.55 162.93 33.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.818 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 m -52.26 151.56 7.01 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.654 0.74 . . . . 0.0 111.131 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 99.95 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.391 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 t -81.67 16.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 p -128.74 141.65 42.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.679 0.752 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.01 25.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -170.3 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.675 2.25 . . . . 0.0 112.308 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -143.8 172.78 12.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 53.91 42.22 31.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.456 HG11 HG21 ' A' ' 111' ' ' VAL . 53.4 t -75.39 113.7 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 p -130.23 142.62 50.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.2 t -131.0 107.76 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.27 172.63 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 m -113.47 141.89 46.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.637 ' HD3' HD11 ' A' ' 38' ' ' ILE . 2.1 tppt? -75.67 152.29 37.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -84.48 -58.44 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.26 -31.49 6.36 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.16 132.79 12.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -39.24 6.67 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.665 2.243 . . . . 0.0 112.309 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -70.2 -36.21 74.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.486 ' CG2' ' HE2' ' A' ' 30' ' ' LYS . 82.2 m -66.24 122.77 18.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 pt -130.39 156.44 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.637 HD11 ' HD3' ' A' ' 30' ' ' LYS . 4.1 mp -117.75 137.01 53.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.6 t -122.19 108.18 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -103.92 160.69 14.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.536 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 36.1 p90 -169.43 179.31 3.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -135.51 154.72 78.55 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.594 0.712 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 145.88 58.49 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.274 . . . . 0.0 112.351 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 161.58 45.39 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.669 2.246 . . . . 0.0 112.3 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.3 p -74.52 -37.77 62.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.75 47.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -40.22 -38.47 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 39.44 25.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . 160.49 173.05 28.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -86.16 121.48 28.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.812 HG21 ' OH ' ' A' ' 54' ' ' TYR . 29.9 mm -67.87 130.2 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.1 p -106.4 -42.42 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.429 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -163.43 -173.21 31.87 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.812 ' OH ' HG21 ' A' ' 51' ' ' ILE . 10.8 m-85 -143.04 158.29 43.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.898 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.474 HD11 ' NH1' ' A' ' 99' ' ' ARG . 16.5 mt -131.87 141.76 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.48 HD11 ' CH2' ' A' ' 41' ' ' TRP . 34.2 mt -118.3 135.49 58.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.443 ' CE1' HG22 ' A' ' 55' ' ' ILE . 5.6 m-85 -123.73 129.1 50.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.695 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 8.2 p90 -140.24 165.9 26.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -172.68 171.86 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.4 p -89.11 9.42 25.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.159 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -149.25 138.24 21.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.5 p -91.93 -18.1 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -97.55 32.96 2.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.4 149.6 26.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 68' ' ' ASP . 12.9 mp0 -62.06 130.04 43.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 65' ' ' GLU . 10.0 tp -34.27 -37.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.537 ' CG ' ' N ' ' A' ' 68' ' ' ASP . 1.4 p80 -60.08 -47.76 84.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.537 ' N ' ' CG ' ' A' ' 67' ' ' HIS . 10.6 t0 -51.99 -34.94 44.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.527 ' CZ3' ' HD2' ' A' ' 95' ' ' LYS . 38.8 m95 -61.29 146.77 46.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.807 HG13 ' OE1' ' A' ' 72' ' ' GLU . 10.1 p -81.22 150.87 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 75.9 mt -104.01 114.51 43.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.807 ' OE1' HG13 ' A' ' 70' ' ' VAL . 2.5 mp0 -112.85 87.08 9.63 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.637 0.732 . . . . 0.0 110.809 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 134.0 26.84 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.634 2.222 . . . . 0.0 112.329 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 26.9 t -109.91 97.6 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.4 m -53.98 155.2 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.5 165.03 0.2 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.53 73.2 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.817 0.341 . . . . 0.0 110.926 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.467 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 3.6 tpt180 -108.36 138.15 45.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.536 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 6.6 mt -107.29 1.55 23.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.5 t -128.28 149.43 50.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -139.41 148.28 42.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -126.34 107.65 10.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 74.2 mt -103.97 140.42 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.421 ' HG2' HG23 ' A' ' 36' ' ' THR . 41.3 mt-30 -128.81 179.36 5.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 62.87 32.91 15.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.8 mt -91.02 176.68 6.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.457 ' O ' HG21 ' A' ' 115' ' ' THR . 0.6 OUTLIER -96.38 166.68 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.426 ' H ' HG22 ' A' ' 87' ' ' THR . 3.4 mt -117.94 171.04 8.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.1 t70 44.97 32.98 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 95.0 m -138.32 127.58 14.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.715 . . . . 0.0 111.136 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 102.8 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.712 2.274 . . . . 0.0 112.328 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -102.05 127.99 48.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -99.2 135.23 40.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -122.95 146.91 47.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.527 ' HD2' ' CZ3' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -136.48 128.48 29.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.506 HD13 ' HB3' ' A' ' 41' ' ' TRP . 17.8 mt -97.44 153.88 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.431 ' N ' HG22 ' A' ' 96' ' ' ILE . 30.0 tt0 -152.11 137.32 17.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.51 150.32 22.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.474 ' NH1' HD11 ' A' ' 55' ' ' ILE . 12.4 ttp180 -146.04 138.79 25.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -118.86 -177.88 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.2 m -43.15 -32.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -74.56 -70.82 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -167.98 -153.53 8.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.26 160.73 15.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -108.71 -160.78 19.99 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.74 45.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -74.55 144.21 44.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.0 p -66.63 174.11 3.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.67 150.81 46.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.68 107.3 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.456 HG21 HG11 ' A' ' 25' ' ' VAL . 91.3 t -83.62 101.06 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -76.74 113.59 14.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -132.95 115.56 15.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -73.65 135.69 43.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.457 HG21 ' O ' ' A' ' 87' ' ' THR . 3.1 p -80.23 146.6 62.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.601 0.715 . . . . 0.0 111.141 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -164.04 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.357 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -138.13 159.25 42.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.823 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.821 0.343 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.8 m -51.08 148.47 7.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 102.06 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.709 2.272 . . . . 0.0 112.342 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.4 t -84.27 21.08 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.2 p -134.4 143.34 46.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.688 0.756 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 163.55 37.88 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.616 2.211 . . . . 0.0 112.385 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -177.38 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.68 2.254 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -142.6 178.72 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 t70 50.55 43.42 27.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.662 HG11 HG21 ' A' ' 111' ' ' VAL . 72.7 t -76.7 128.9 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 p -150.06 145.14 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.29 105.66 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 38' ' ' ILE . 31.4 m -106.34 167.2 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 p -110.26 161.33 15.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -98.13 135.74 39.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.19 -62.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -41.1 -39.21 2.01 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -138.71 130.44 15.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.543 0.687 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -51.69 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -54.43 -35.17 62.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.2 m -73.37 138.18 45.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.581 HD11 ' CE2' ' A' ' 94' ' ' PHE . 11.7 pt -139.11 159.02 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.52 ' O ' HG22 ' A' ' 28' ' ' VAL . 5.1 mp -126.03 118.2 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.43 HG12 ' HE3' ' A' ' 41' ' ' TRP . 87.5 t -95.52 112.39 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -103.49 124.66 49.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.576 ' CH2' HD11 ' A' ' 56' ' ' ILE . 26.6 p90 -142.18 -175.34 4.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -145.33 161.35 42.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 152.42 69.33 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 138.1 36.95 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.716 2.278 . . . . 0.0 112.321 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -47.75 -34.45 8.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -85.47 86.31 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.82 67.22 1.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -75.89 49.39 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 155.59 176.72 28.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.78 118.45 29.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.527 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 29.0 mm -67.06 125.57 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.4 p -94.43 -30.89 14.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.578 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -178.04 -167.95 36.79 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.583 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 0.1 OUTLIER -149.17 150.43 32.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 0.0 110.917 -179.839 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.5 mt -123.05 142.03 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.576 HD11 ' CH2' ' A' ' 41' ' ' TRP . 35.2 mt -121.58 137.28 55.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -121.55 129.75 53.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.514 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 3.1 p90 -143.76 151.05 39.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -174.27 161.94 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.0 p -82.64 46.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.434 ' CB ' ' HB2' ' A' ' 64' ' ' ALA . 2.5 m-20 -165.93 137.83 3.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.39 -23.05 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -98.37 -13.17 20.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.435 ' HB1' ' OD2' ' A' ' 68' ' ' ASP . . . -53.35 131.9 38.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.9 OUTLIER -46.31 134.94 8.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 67' ' ' HIS . 8.2 tp -41.5 -40.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.453 ' ND1' ' N ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -62.54 -37.76 87.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.453 ' N ' ' ND1' ' A' ' 67' ' ' HIS . 34.2 t0 -59.27 -28.2 66.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 61' ' ' ASP . 11.8 m95 -70.76 131.8 44.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.514 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 3.8 p -58.01 149.83 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.081 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.596 HG22 ' HD3' ' A' ' 73' ' ' PRO . 88.0 mt -105.85 108.09 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -107.18 84.3 1.64 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.643 0.735 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.596 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.0 Cg_endo -69.77 135.45 30.46 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.304 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.502 HG11 ' HB3' ' A' ' 78' ' ' ARG . 58.4 t -106.56 113.49 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.0 m -70.98 155.93 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.94 176.31 0.76 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.429 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -81.04 77.83 7.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.781 0.324 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.502 ' HB3' HG11 ' A' ' 74' ' ' VAL . 5.0 tpt180 -112.94 148.8 34.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.534 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 89.6 mt -117.55 4.55 12.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.44 146.52 44.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -134.86 154.78 51.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -120.86 114.05 21.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 45.5 mt -111.6 143.81 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -134.54 -174.57 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 63.89 34.73 11.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.2 mt -107.65 140.85 40.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.518 ' CG2' ' HB ' ' A' ' 90' ' ' THR . 0.6 OUTLIER -65.09 169.98 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.165 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 89' ' ' ASP . 21.5 mt -104.7 171.56 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 88' ' ' LEU . 33.8 t70 32.49 54.26 0.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.518 ' HB ' ' CG2' ' A' ' 87' ' ' THR . 3.3 m -140.8 132.66 14.05 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.584 0.706 . . . . 0.0 111.13 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 112.16 3.01 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.492 ' HE1' HG22 ' A' ' 87' ' ' THR . 10.9 m-85 -116.93 141.71 47.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -113.19 125.48 54.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.581 ' CE2' HD11 ' A' ' 37' ' ' ILE . 67.7 m-85 -110.67 149.07 30.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -134.98 136.3 42.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.456 HD12 HG22 ' A' ' 25' ' ' VAL . 21.6 mt -116.76 154.68 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.447 ' N ' HG22 ' A' ' 96' ' ' ILE . 25.3 tt0 -161.03 142.62 11.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -101.57 130.92 47.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.4 ptt-85 -130.71 140.86 50.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 0.3 OUTLIER -118.79 177.76 4.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.1 t -45.69 -37.17 5.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.4 OUTLIER -62.93 -72.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.16 -147.42 4.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.7 mtm -117.4 159.35 22.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.789 0.328 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -104.69 -167.61 24.42 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 149.5 67.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.375 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 10.7 mmt -82.06 136.81 35.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.2 p -72.03 173.32 8.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -74.22 132.97 42.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -43.06 140.29 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.662 HG21 HG11 ' A' ' 25' ' ' VAL . 97.4 t -114.85 102.33 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -76.28 121.74 23.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -141.12 116.78 10.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -75.22 126.61 31.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.419 HG21 ' O ' ' A' ' 87' ' ' THR . 1.3 p -59.9 151.56 63.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.574 0.702 . . . . 0.0 111.119 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -163.82 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.747 2.298 . . . . 0.0 112.351 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.535 ' HA ' ' HZ3' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -136.31 155.6 49.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.851 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.459 HG12 ' H ' ' A' ' 103' ' ' GLY . 16.5 m -45.55 152.26 0.7 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 111.14 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.413 ' HD3' ' ND2' ' A' ' 100' ' ' ASN . 53.7 Cg_endo -69.75 108.54 2.1 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 p -89.03 13.88 11.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -126.34 138.5 32.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.844 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 169.16 19.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.353 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -177.54 1.93 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -146.92 171.91 14.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 46.1 53.97 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.5 t -85.53 112.37 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -126.4 148.68 49.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.3 t -132.99 117.69 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.4 m -120.67 174.56 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.1 t -120.08 146.29 46.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -57.99 154.8 11.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -88.61 -6.94 57.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.19 8.97 4.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 18.8 tptm -154.03 105.02 2.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 53.8 Cg_endo -69.74 -41.37 4.36 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.274 . . . . 0.0 112.348 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -66.94 -8.21 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 83' ' ' ILE . 36.3 m -113.77 138.29 50.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.1 pt -136.23 156.46 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 mp -118.87 118.66 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.5 t -98.99 105.22 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -97.68 125.78 42.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.631 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 40.3 p90 -135.13 -177.32 4.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -144.94 142.51 18.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 0.0 110.951 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.443 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 53.7 Cg_endo -69.73 163.16 39.27 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 157.24 60.92 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.291 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -81.27 14.82 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 47' ' ' ALA . 21.9 mt-10 -110.38 -52.33 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 33.97 45.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' ALA . 74.6 m-20 -36.29 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -132.71 164.13 24.06 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -62.88 115.36 4.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.902 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 13.7 mm -70.36 116.08 10.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.7 p -81.12 -26.29 36.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.434 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . 172.03 -164.78 37.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.902 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 8.0 m-85 -148.11 153.25 38.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.842 0.353 . . . . 0.0 110.938 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.4 mt -119.57 144.59 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.631 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 86.5 mt -123.57 132.97 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -116.81 114.41 23.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.796 ' CE2' HG11 ' A' ' 70' ' ' VAL . 9.7 p90 -121.37 144.1 48.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.464 ' HB2' ' CD2' ' A' ' 69' ' ' TRP . 2.2 m -169.38 148.55 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.877 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.5 p -64.36 -26.1 68.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.541 ' O ' ' CZ2' ' A' ' 69' ' ' TRP . 1.0 OUTLIER -91.49 138.23 31.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.531 ' HB ' ' CZ ' ' A' ' 93' ' ' TYR . 14.5 p -99.64 -11.43 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -110.09 -22.69 11.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.27 134.59 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . 2.3 mp0 -47.43 127.64 11.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.0 tp -40.89 -25.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.177 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 65' ' ' GLU . 1.4 p80 -69.73 -43.54 72.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.468 ' N ' ' CG ' ' A' ' 67' ' ' HIS . 38.8 t70 -60.67 -30.27 69.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.541 ' CZ2' ' O ' ' A' ' 61' ' ' ASP . 16.9 m95 -60.79 154.31 22.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.796 HG11 ' CE2' ' A' ' 58' ' ' TYR . 7.3 p -81.03 155.6 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.188 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.538 HG22 ' HD3' ' A' ' 73' ' ' PRO . 97.1 mt -109.63 111.62 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -107.63 86.63 2.97 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.538 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.9 Cg_endo -69.77 130.48 19.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 99.8 t -107.15 98.34 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.4 m -53.36 167.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.64 -175.09 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -88.06 26.7 1.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.475 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 1.0 OUTLIER -53.17 144.96 14.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 26.0 mt -112.45 2.42 16.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.08 149.58 46.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -125.41 153.81 42.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -125.08 96.93 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 36' ' ' THR . 33.5 mt -94.33 145.81 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.23 176.55 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 58.34 53.8 6.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.2 mt -115.72 162.49 17.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.712 ' O ' HG21 ' A' ' 115' ' ' THR . 1.1 m -81.51 153.26 26.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.4 mt -106.05 171.27 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.429 ' HB2' ' NZ ' ' A' ' 117' ' ' LYS . 22.3 t70 45.39 41.64 6.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.6 m -147.65 131.07 8.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.538 0.685 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 110.58 2.58 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.343 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -105.77 140.89 38.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.531 ' CZ ' ' HB ' ' A' ' 62' ' ' VAL . 26.9 m-85 -105.03 140.35 38.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -128.31 148.69 50.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 110' ' ' ALA . 62.9 mttm -140.47 127.96 21.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.494 HD13 ' CG ' ' A' ' 41' ' ' TRP . 88.8 mt -109.62 153.57 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.42 ' N ' HG22 ' A' ' 96' ' ' ILE . 18.9 tt0 -156.37 139.15 15.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.45 127.26 46.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.456 ' CB ' ' HA ' ' A' ' 104' ' ' MET . 17.3 ptt180 -133.86 153.94 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.463 ' OD1' HD13 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -122.33 -177.28 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 64.7 m -48.4 -36.71 15.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.421 ' HE2' ' N ' ' A' ' 102' ' ' LYS . 0.5 OUTLIER -68.89 -72.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.459 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -158.64 -168.61 21.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.456 ' HA ' ' CB ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -103.77 170.67 7.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 110.849 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -112.8 -156.62 12.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 150.36 68.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 30.0 mtt -93.07 139.61 30.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.1 p -76.44 166.34 23.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -63.37 157.65 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.415 ' HB2' ' HE2' ' A' ' 95' ' ' LYS . . . -71.06 112.06 6.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 55.4 t -84.13 102.58 10.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -76.73 112.41 13.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -126.99 117.98 23.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -72.14 133.18 45.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.712 HG21 ' O ' ' A' ' 87' ' ' THR . 1.6 p -72.81 150.25 90.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -163.59 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.429 ' NZ ' ' HB2' ' A' ' 89' ' ' ASP . 6.3 mmpt? -141.91 154.98 45.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 179.859 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.604 ' N ' HD22 ' A' ' 16' ' ' LEU . 2.2 mm? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.6 m -57.17 154.11 22.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.748 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 97.03 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 0.0 112.325 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.5 p -82.83 19.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -123.47 132.69 24.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.55 37.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 175.48 8.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.375 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -131.28 177.71 7.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.4 t0 50.63 37.28 15.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.08 104.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.1 p -133.08 147.3 52.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.602 HG13 HG22 ' A' ' 39' ' ' VAL . 42.5 t -126.59 110.99 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 38' ' ' ILE . 19.4 m -112.24 166.37 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.1 p -110.93 166.7 10.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -100.43 137.71 38.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -69.1 -62.52 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -44.89 -37.39 5.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -136.73 129.5 17.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.554 0.692 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -49.6 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -54.63 -41.99 70.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 m -67.59 134.55 51.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.4 pt -139.49 149.84 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.681 ' O ' HG22 ' A' ' 28' ' ' VAL . 4.0 mp -115.38 123.24 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.672 ' CG1' HD11 ' A' ' 96' ' ' ILE . 94.5 t -106.5 115.46 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.57 162.74 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 28.2 p90 -174.99 -176.11 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -147.32 157.98 44.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.573 0.702 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 152.45 69.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.344 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 133.5 25.61 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.637 2.225 . . . . 0.0 112.341 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.1 m -46.69 -38.63 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -90.28 92.96 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ASN . . . -102.12 65.22 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' ALA . 81.9 m-20 -35.85 -40.62 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.8 -142.69 5.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.23 129.86 56.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.732 0.301 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.542 HD13 ' OD1' ' A' ' 100' ' ' ASN . 14.5 mm -80.0 110.62 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.179 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.1 p -83.93 -38.02 21.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.55 -175.09 35.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.506 ' CE2' HG21 ' A' ' 51' ' ' ILE . 1.2 m-85 -138.72 148.91 44.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.921 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.785 HD12 ' OE1' ' A' ' 97' ' ' GLN . 47.7 mt -119.12 139.61 45.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.0 mt -118.63 133.77 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.186 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -119.49 130.68 55.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.679 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 2.1 p90 -147.75 148.02 30.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.2 t -174.13 132.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.0 p -42.87 -34.66 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.176 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -91.38 131.16 37.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 p -95.45 -25.14 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -85.35 -15.79 42.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.81 149.83 10.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 67' ' ' HIS . 8.8 mp0 -62.66 134.78 56.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.431 HD11 ' SD ' ' A' ' 107' ' ' MET . 10.1 tp -38.9 -28.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.513 ' CG ' ' N ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -68.71 -45.25 72.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.513 ' N ' ' CG ' ' A' ' 67' ' ' HIS . 3.9 t70 -56.78 -24.21 48.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.474 ' CZ3' ' HE3' ' A' ' 95' ' ' LYS . 13.3 m95 -70.12 132.6 46.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.679 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 8.5 p -64.44 146.35 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.432 HG22 ' HD3' ' A' ' 73' ' ' PRO . 48.4 mt -103.49 109.67 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -107.21 84.66 1.77 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.594 0.712 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.432 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.6 Cg_endo -69.7 132.13 22.78 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.501 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 85.1 t -106.74 109.24 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.97 157.71 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.93 -178.48 2.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -85.89 43.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.501 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 4.1 tpt180 -74.59 137.22 42.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.7 mt -105.9 8.29 32.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 t -136.4 154.13 50.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -140.85 149.74 42.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -114.42 105.03 12.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.827 HG22 HD11 ' A' ' 86' ' ' LEU . 84.3 mt -106.98 112.26 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -118.08 -175.95 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 63.37 48.36 3.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.827 HD11 HG22 ' A' ' 83' ' ' ILE . 13.4 mt -119.43 168.08 11.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.577 ' O ' HG21 ' A' ' 115' ' ' THR . 2.4 m -79.65 150.51 30.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 20.3 mt -99.76 165.29 11.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.1 t0 44.35 44.14 6.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.587 HG23 ' HD2' ' A' ' 91' ' ' PRO . 87.3 m -143.34 137.06 14.32 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.556 0.693 . . . . 0.0 111.155 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 90' ' ' THR . 53.5 Cg_endo -69.75 121.46 8.16 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -122.1 142.44 50.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.475 ' HB3' ' HB1' ' A' ' 110' ' ' ALA . 5.9 m-85 -113.44 125.42 54.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -117.09 150.36 38.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.474 ' HE3' ' CZ3' ' A' ' 69' ' ' TRP . 5.4 mtmp? -140.61 127.94 21.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.672 HD11 ' CG1' ' A' ' 39' ' ' VAL . 53.1 mt -107.49 144.96 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.785 ' OE1' HD12 ' A' ' 55' ' ' ILE . 0.7 OUTLIER -142.64 154.22 44.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.07 117.09 32.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.756 ' HD3' HD11 ' A' ' 55' ' ' ILE . 33.9 ptt85 -116.18 149.74 38.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.542 ' OD1' HD13 ' A' ' 51' ' ' ILE . 13.6 m-20 -122.49 -175.85 3.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.4 t -53.8 -32.07 51.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -73.57 -70.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -158.52 -160.65 10.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.417 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.536 ' SD ' HD12 ' A' ' 55' ' ' ILE . 48.1 mtm -104.51 156.39 17.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.5 -157.98 25.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 162.49 41.9 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.431 ' SD ' HD11 ' A' ' 66' ' ' ILE . 45.9 mtt -108.15 146.3 32.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.1 p -78.03 176.46 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -73.25 152.27 41.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.475 ' HB1' ' HB3' ' A' ' 93' ' ' TYR . . . -62.88 108.55 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.6 t -82.52 101.06 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -76.62 100.87 5.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -114.3 113.97 25.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -72.11 117.76 14.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.577 HG21 ' O ' ' A' ' 87' ' ' THR . 9.6 p -54.97 147.26 34.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.546 0.688 . . . . 0.0 111.152 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -141.45 155.61 45.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.073 179.85 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.891 0.377 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.4 m -55.34 153.41 13.8 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.601 0.715 . . . . 0.0 111.118 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 102.55 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -85.78 5.88 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 t -116.89 136.39 23.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 163.67 37.37 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.365 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 158.22 57.72 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.79 -179.04 3.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t70 53.56 27.76 7.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.495 HG13 HD12 ' A' ' 96' ' ' ILE . 92.8 t -67.0 107.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.5 p -136.72 147.3 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.77 112.55 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.2 m -111.75 -179.97 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.1 p -112.38 169.33 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -103.61 141.56 35.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -84.36 104.9 14.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 121.66 -28.82 5.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 1.5 tmtm? -128.77 101.64 20.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.539 0.685 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 53.4 Cg_endo -69.79 -18.15 37.02 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -86.81 -7.21 58.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.409 HG23 ' HG2' ' A' ' 84' ' ' GLN . 99.5 m -111.83 150.18 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.537 HD11 ' CE2' ' A' ' 94' ' ' PHE . 7.2 pt -148.07 156.31 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.489 HD12 ' N ' ' A' ' 38' ' ' ILE . 4.3 mp -117.24 124.11 72.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.424 ' O ' ' CZ3' ' A' ' 41' ' ' TRP . 87.2 t -104.3 103.74 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -91.14 154.95 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.632 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 22.4 p90 -171.01 -176.84 2.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -146.8 161.19 38.47 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.576 0.703 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 151.19 69.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.39 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 163.46 38.14 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.647 2.231 . . . . 0.0 112.366 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -83.42 -20.39 34.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -100.28 38.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -46.6 -38.24 9.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 39.38 25.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . 161.85 145.63 4.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 141.64 6.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.612 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 10.7 mm -99.07 117.65 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.572 HG23 ' HA ' ' A' ' 100' ' ' ASN . 15.0 p -75.18 -49.12 20.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.185 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -166.38 -156.77 9.74 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.444 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.612 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 7.4 m-85 -151.54 156.35 40.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 0.0 110.962 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.427 ' CG2' ' CZ ' ' A' ' 57' ' ' TYR . 42.7 mt -123.03 138.94 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.632 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 91.6 mt -118.25 130.14 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CZ ' ' CG2' ' A' ' 55' ' ' ILE . 3.0 m-85 -118.95 123.56 44.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.536 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 4.3 p90 -133.08 137.27 46.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -155.21 150.43 27.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 40.7 p -60.17 -40.7 90.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.153 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -88.08 143.79 26.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.449 ' O ' HG22 ' A' ' 62' ' ' VAL . 7.3 p -97.58 -12.01 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.57 -13.51 15.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.51 134.22 24.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 68' ' ' ASP . 14.7 mt-10 -46.98 132.17 11.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.5 tp -42.18 -27.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.482 ' ND1' ' N ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -69.67 -42.19 74.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.899 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.482 ' N ' ' ND1' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -61.63 -23.64 66.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -69.17 145.15 53.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.469 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 5.5 p -76.2 154.89 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.9 mt -111.38 108.97 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -109.09 87.25 4.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 140.77 43.66 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.375 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.9 t -110.1 122.44 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.0 m -76.49 160.15 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.26 -173.91 0.95 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -86.88 36.29 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -73.67 146.01 44.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.511 ' HA ' ' CE2' ' A' ' 41' ' ' TRP . 7.6 mt -119.03 12.58 12.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.3 t -137.88 141.63 40.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -134.22 149.64 50.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -117.08 105.17 11.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.424 HD13 ' CD2' ' A' ' 58' ' ' TYR . 85.1 mt -99.98 126.45 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.409 ' HG2' HG23 ' A' ' 36' ' ' THR . 32.5 mt-30 -115.41 -176.41 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 59.61 37.01 22.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.5 mt -100.24 152.38 20.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.543 ' O ' HG21 ' A' ' 115' ' ' THR . 0.8 OUTLIER -77.69 151.28 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 89' ' ' ASP . 13.7 mt -97.8 177.07 5.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 88' ' ' LEU . 15.5 t0 36.91 43.62 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 51.9 m -146.82 127.17 6.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 111.139 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 108.84 2.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.369 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -102.54 130.23 49.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -98.45 116.47 30.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.537 ' CE2' HD11 ' A' ' 37' ' ' ILE . 34.4 m-85 -107.54 158.11 17.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -149.63 140.81 23.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.522 HD13 ' HB3' ' A' ' 41' ' ' TRP . 40.9 mt -117.11 153.36 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.418 ' N ' HG22 ' A' ' 96' ' ' ILE . 7.8 tt0 -154.52 136.3 14.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -101.32 126.65 48.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.462 ' CB ' ' HG2' ' A' ' 104' ' ' MET . 19.6 ptt180 -127.88 151.29 49.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.572 ' HA ' HG23 ' A' ' 52' ' ' THR . 0.6 OUTLIER -126.41 176.91 6.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.0 t -44.16 -34.7 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.46 ' HE2' ' N ' ' A' ' 102' ' ' LYS . 0.4 OUTLIER -65.95 -73.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -158.83 -149.77 5.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.462 ' HG2' ' CB ' ' A' ' 99' ' ' ARG . 57.6 mtm -116.26 156.7 26.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.97 -158.57 24.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 163.53 37.95 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 27.7 mtt -105.58 122.67 46.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.5 p -54.49 160.22 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -65.29 140.78 58.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.42 116.73 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 84.4 t -89.18 101.52 12.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -76.8 100.72 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -115.98 114.57 24.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.1 ttm-85 -72.45 118.99 16.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.543 HG21 ' O ' ' A' ' 87' ' ' THR . 14.8 p -58.17 144.27 77.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.555 0.693 . . . . 0.0 111.164 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -138.72 157.09 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.828 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.639 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.8 mm? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.827 0.346 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.0 m -44.97 154.1 0.47 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.624 0.726 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.456 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 53.9 Cg_endo -69.74 107.26 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.724 2.283 . . . . 0.0 112.339 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.1 p -86.17 12.67 9.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 t -124.52 135.94 27.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 163.76 37.08 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.719 2.279 . . . . 0.0 112.33 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 168.59 21.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -128.85 179.9 5.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t0 52.72 35.27 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.488 ' CG1' HG21 ' A' ' 111' ' ' VAL . 75.8 t -68.1 108.43 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 p -136.45 144.32 44.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.648 HG22 HG22 ' A' ' 39' ' ' VAL . 59.9 t -132.72 112.02 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.73 176.31 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -115.53 157.11 24.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -93.13 146.08 23.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 32' ' ' GLY . 14.6 tp10 -74.27 -67.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 31' ' ' GLU . . . -36.35 -37.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.527 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -139.34 131.63 15.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.541 0.686 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -51.42 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' HZ3' ' HG3' ' A' ' 35' ' ' LYS . 18.6 mtmm -52.45 -43.05 64.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.4 m -62.92 140.73 58.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.2 pt -143.27 156.15 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mp -118.92 130.53 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.648 HG22 HG22 ' A' ' 27' ' ' VAL . 53.5 t -117.13 111.9 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -102.67 150.92 22.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.537 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 33.5 p90 -160.68 -176.19 5.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -145.48 155.73 53.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.647 0.737 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 154.29 68.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 0.0 112.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 144.38 54.24 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.349 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.5 t -59.67 -47.5 85.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 47' ' ' ALA . 57.1 mm-40 -48.02 -50.17 28.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 34.29 51.37 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 47' ' ' ALA . 98.5 m-20 -34.34 -35.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -142.45 -152.19 5.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.542 ' O ' HD13 ' A' ' 51' ' ' ILE . 13.1 ptpt -84.34 177.51 8.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.312 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.569 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 16.9 mm -133.25 122.98 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.3 p -96.8 -34.48 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.186 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.22 -169.29 35.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.569 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 21.3 m-85 -142.49 172.0 13.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.858 0.361 . . . . 0.0 110.949 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.418 ' CG2' ' CZ ' ' A' ' 57' ' ' TYR . 28.7 mt -139.43 131.95 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.537 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 67.7 mt -111.99 134.3 54.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.418 ' CZ ' ' CG2' ' A' ' 55' ' ' ILE . 13.3 m-85 -120.92 122.61 40.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.842 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 3.1 p90 -134.61 151.43 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 t -171.18 144.06 2.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.588 HG22 ' CZ ' ' A' ' 92' ' ' TYR . 37.7 p -49.5 -51.78 33.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.632 ' CG ' ' HB2' ' A' ' 64' ' ' ALA . 1.1 p30 -73.6 157.07 37.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.454 ' HB ' ' CE1' ' A' ' 93' ' ' TYR . 9.3 p -111.21 -25.15 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -92.91 -14.55 27.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.632 ' HB2' ' CG ' ' A' ' 61' ' ' ASP . . . -51.78 140.41 19.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -53.13 136.87 35.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.0 tp -50.2 -20.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -34.23 61.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -68.94 -31.18 69.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -59.78 151.08 26.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.842 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 9.5 p -78.35 150.64 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.466 HG22 ' HD3' ' A' ' 73' ' ' PRO . 67.0 mt -104.33 116.68 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.731 ' OE1' HG13 ' A' ' 70' ' ' VAL . 4.8 mp0 -115.98 84.61 13.64 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.61 0.719 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.466 ' HD3' HG22 ' A' ' 71' ' ' ILE . 54.0 Cg_endo -69.77 142.51 48.07 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.633 2.222 . . . . 0.0 112.357 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.4 t -112.65 121.09 64.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.1 m -75.55 168.52 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.98 -168.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -91.94 42.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.362 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -78.7 139.07 38.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.462 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 62.3 mt -110.16 1.03 18.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -129.36 139.81 51.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -126.41 154.06 44.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -123.48 109.44 13.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.1 mt -107.2 145.22 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.07 -175.83 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 63.43 38.99 9.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.7 mt -104.33 149.62 25.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.508 ' O ' HG21 ' A' ' 115' ' ' THR . 19.9 m -75.73 137.17 40.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 89' ' ' ASP . 17.4 mt -82.67 -179.65 7.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 24.7 t70 36.28 43.31 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.2 m -147.75 122.56 5.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 111.04 2.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.588 ' CZ ' HG22 ' A' ' 60' ' ' THR . 12.5 m-85 -105.6 147.68 28.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.506 ' HB3' ' HB1' ' A' ' 110' ' ' ALA . 30.9 m-85 -112.16 126.12 54.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -113.54 152.81 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -139.92 139.1 36.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.412 HD12 HG22 ' A' ' 25' ' ' VAL . 20.3 mt -112.82 144.32 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.428 ' CD ' ' HB3' ' A' ' 104' ' ' MET . 38.6 tt0 -149.91 141.74 23.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.29 158.09 16.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -154.95 145.15 21.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 102' ' ' LYS . 14.3 p-10 -127.81 -178.15 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.5 p -43.71 -22.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 100' ' ' ASN . 14.3 mmmt -83.89 -75.08 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -165.14 -155.43 8.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.535 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.428 ' HB3' ' CD ' ' A' ' 97' ' ' GLN . 29.6 mtm -93.95 176.72 6.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -124.61 -155.86 9.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.456 ' CD ' ' O ' ' A' ' 18' ' ' PRO . 53.5 Cg_endo -69.79 149.58 66.91 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 3.6 mtt -95.06 131.12 41.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.0 p -75.49 169.49 17.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -66.75 143.76 56.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.506 ' HB1' ' HB3' ' A' ' 93' ' ' TYR . . . -61.28 119.79 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.052 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.488 HG21 ' CG1' ' A' ' 25' ' ' VAL . 76.5 t -84.36 101.89 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -73.84 101.49 3.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -120.12 116.14 25.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -74.44 143.27 44.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.508 HG21 ' O ' ' A' ' 87' ' ' THR . 12.1 p -80.8 148.68 65.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 0.0 111.122 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -163.82 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.348 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -139.87 151.0 45.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.081 179.864 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 4.0 mm? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.807 0.337 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.434 HG12 ' H ' ' A' ' 103' ' ' GLY . 10.4 m -53.41 154.21 6.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 111.158 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.408 ' O ' ' HD2' ' A' ' 106' ' ' PRO . 53.9 Cg_endo -69.78 98.68 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.734 2.289 . . . . 0.0 112.334 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 t -82.84 21.65 1.0 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 t -130.15 136.1 28.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.631 0.729 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 156.33 63.43 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.7 2.266 . . . . 0.0 112.292 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.09 51.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.627 2.218 . . . . 0.0 112.368 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.8 -176.49 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 56.19 30.43 16.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.536 HG22 HD12 ' A' ' 96' ' ' ILE . 68.9 t -66.98 106.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.3 p -132.76 146.59 51.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.155 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.6 t -132.6 106.43 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.6 m -112.71 165.52 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -94.62 153.2 17.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.617 ' HD2' HD11 ' A' ' 38' ' ' ILE . 15.5 tptp -73.7 145.9 44.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 10.4 tt0 -82.6 105.92 14.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.74 -42.12 2.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -109.08 110.89 60.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -33.27 16.5 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.644 2.229 . . . . 0.0 112.306 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -73.6 -10.48 59.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.7 m -111.17 143.22 42.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.2 pt -142.35 162.61 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.617 HD11 ' HD2' ' A' ' 30' ' ' LYS . 5.3 mp -122.0 138.49 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.4 t -126.9 127.9 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -116.94 166.67 11.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.544 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 45.8 p90 -173.4 178.99 2.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -139.48 155.54 71.86 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.82 63.7 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 123.18 9.86 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.343 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -39.94 -33.57 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -60.44 -58.35 8.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 37.89 51.41 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' ALA . 97.6 m-20 -36.53 -29.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -146.42 166.43 28.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -55.1 108.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.591 HD13 ' OD1' ' A' ' 100' ' ' ASN . 29.1 mm -62.64 111.79 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.6 p -71.45 -39.35 71.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -175.83 -156.41 14.86 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.547 ' N ' HH12 ' A' ' 99' ' ' ARG . 0.2 OUTLIER -152.82 148.72 27.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.948 -179.84 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.687 HD12 HH21 ' A' ' 99' ' ' ARG . 26.0 mt -123.44 144.89 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.544 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 96.0 mt -115.81 127.53 73.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -108.84 123.38 48.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.57 ' C ' ' CD1' ' A' ' 58' ' ' TYR . 1.1 p90 -144.14 141.23 29.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.5 t -151.87 -176.37 5.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.1 p -96.68 27.23 4.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 62' ' ' VAL . 34.6 t0 -164.3 152.93 13.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.477 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 10.5 p -104.67 -15.81 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -94.03 -13.24 27.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.18 157.13 10.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 67' ' ' HIS . 12.3 mt-10 -83.26 135.55 34.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' GLU . 9.0 tp -34.86 -31.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' GLU . 1.8 m170 -54.03 -49.99 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.81 -34.98 79.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -54.04 121.35 7.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.553 HG11 ' CE2' ' A' ' 58' ' ' TYR . 3.6 p -57.5 154.46 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.495 HG22 ' HD3' ' A' ' 73' ' ' PRO . 95.7 mt -111.71 107.24 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -107.03 86.16 2.3 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.618 0.723 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.495 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.75 132.35 23.17 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.486 HG21 ' CH2' ' A' ' 41' ' ' TRP . 60.1 t -99.93 99.9 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.4 m -60.18 148.38 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.93 171.75 4.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 78' ' ' ARG . 3.4 p-10 -62.45 -10.34 11.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 77' ' ' ASN . 8.6 ttm-85 -34.32 145.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.451 ' O ' ' CE3' ' A' ' 41' ' ' TRP . 10.0 mt -122.57 15.3 10.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.7 t -130.56 152.77 49.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.186 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -144.49 145.76 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -112.74 116.02 29.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 78.6 mt -110.53 104.94 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -104.21 179.26 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 61.35 48.03 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.9 mt -106.1 178.84 4.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.62 ' O ' HG21 ' A' ' 115' ' ' THR . 15.7 m -102.22 146.08 28.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.2 mt -91.45 173.97 7.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.0 t70 38.75 41.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.5 m -146.76 120.46 5.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.593 0.711 . . . . 0.0 111.143 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.48 3.09 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -102.66 131.86 49.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.972 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -94.82 117.53 30.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -110.31 150.95 28.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -141.08 145.28 35.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.536 HD12 HG22 ' A' ' 25' ' ' VAL . 32.3 mt -119.56 160.01 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.521 ' N ' HG22 ' A' ' 96' ' ' ILE . 2.0 pt20 -157.76 176.34 12.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.58 140.9 31.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.687 HH21 HD12 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -138.3 154.23 49.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.591 ' OD1' HD13 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -128.25 -176.13 3.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.8 t -43.01 -25.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -81.51 -75.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.434 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -165.81 -159.68 12.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.3 mtm -92.56 177.45 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -123.43 -160.35 10.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 18' ' ' PRO . 54.4 Cg_endo -69.71 143.46 51.14 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 17.6 mmt -73.17 144.94 46.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.8 p -81.63 177.27 9.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -73.23 131.39 41.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.08 115.96 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 86.4 t -89.07 102.26 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -81.08 105.7 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -121.88 117.02 25.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -71.94 137.47 47.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.62 HG21 ' O ' ' A' ' 87' ' ' THR . 19.4 p -76.3 145.91 77.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.568 0.699 . . . . 0.0 111.171 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -163.49 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -138.55 161.84 36.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.066 179.873 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.8 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.825 0.345 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 103' ' ' GLY . 31.4 m -44.93 152.67 0.54 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.573 0.701 . . . . 0.0 111.168 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 98.55 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.676 2.25 . . . . 0.0 112.317 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 t -83.21 19.55 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.6 t -133.11 143.97 50.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 161.18 46.92 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -175.51 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -140.75 175.13 9.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 47.21 36.21 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.517 HG13 HD12 ' A' ' 96' ' ' ILE . 73.4 t -71.66 105.54 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -125.57 152.98 44.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.7 t -131.7 111.24 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -112.91 173.3 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 t -104.97 167.24 9.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 15.9 tptp -85.96 149.02 25.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.467 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 15.0 tt0 -78.67 100.95 7.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.9 -42.68 1.9 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -105.0 109.19 62.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.708 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -47.88 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -57.01 -16.98 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 94.6 m -101.9 136.42 41.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.3 pt -136.05 156.93 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.1 mp -121.57 118.55 56.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.3 t -95.34 120.56 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.3 OUTLIER -110.09 159.04 17.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.485 ' CG ' HD13 ' A' ' 96' ' ' ILE . 38.3 p90 -174.46 -179.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -139.84 156.72 70.65 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 143.74 51.92 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 163.09 39.58 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.3 t -64.54 -40.1 94.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' ALA . 28.1 mm-40 -43.27 -64.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 34.49 45.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -75.79 53.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 150.73 133.8 2.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -41.24 128.94 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.309 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.5 mm -79.98 142.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.4 p -116.65 -37.47 3.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.61 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -172.99 -163.58 26.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 53' ' ' GLY . 4.0 m-85 -147.62 163.18 37.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.873 HD12 ' OE1' ' A' ' 97' ' ' GLN . 39.5 mt -131.15 124.24 55.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.193 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.429 HD11 ' HB2' ' A' ' 81' ' ' HIS . 27.3 mt -106.94 140.81 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -125.05 129.1 49.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.695 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 4.7 p90 -140.11 151.42 45.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.939 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 t -172.72 157.12 3.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.576 HG22 ' CZ ' ' A' ' 92' ' ' TYR . 82.4 p -84.78 47.33 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.135 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.526 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 6.6 m-20 -171.89 118.47 0.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.2 p -80.05 -28.2 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -98.39 27.41 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.526 ' HB2' ' HB3' ' A' ' 61' ' ' ASP . . . -95.84 139.54 31.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.492 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . 2.7 mm-40 -49.36 134.87 18.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.9 tp -41.61 -38.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.492 ' CD2' ' HB3' ' A' ' 65' ' ' GLU . 2.7 p80 -61.99 -38.72 89.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' GLU . 38.1 t70 -57.48 -33.4 67.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -66.57 138.61 57.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.695 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 9.5 p -73.77 151.76 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.571 HG22 ' HD3' ' A' ' 73' ' ' PRO . 89.4 mt -103.23 111.8 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.67 ' OE1' HG13 ' A' ' 70' ' ' VAL . 1.1 mp0 -109.2 83.54 2.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.638 0.732 . . . . 0.0 110.932 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.571 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.7 Cg_endo -69.75 121.79 8.48 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.489 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 97.8 t -93.52 104.98 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 36.0 m -59.91 159.78 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.04 172.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.29 66.46 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.489 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 3.6 tpt180 -99.0 143.84 28.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.42 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 76.3 mt -109.63 1.07 19.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.6 t -131.64 147.49 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.429 ' HB2' HD11 ' A' ' 56' ' ' ILE . 21.8 t60 -132.89 152.91 51.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -123.48 127.53 48.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.0 mt -126.75 118.23 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.5 ' O ' ' CG ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -109.94 -174.09 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 84' ' ' GLN . 10.9 pt-20 46.53 55.05 8.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 32.8 mt -106.91 -175.34 2.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.661 ' O ' HG21 ' A' ' 115' ' ' THR . 2.6 m -104.39 132.79 50.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.0 mt -90.94 177.75 6.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 65.6 t0 38.21 39.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.503 HG23 ' HD2' ' A' ' 91' ' ' PRO . 53.2 m -148.44 134.98 10.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.707 . . . . 0.0 111.138 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.503 ' HD2' HG23 ' A' ' 90' ' ' THR . 54.2 Cg_endo -69.75 128.75 16.49 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.382 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.576 ' CZ ' HG22 ' A' ' 60' ' ' THR . 8.3 m-85 -130.75 129.82 42.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -102.9 135.7 44.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -121.17 151.78 39.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -142.32 130.46 22.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.517 HD12 HG13 ' A' ' 25' ' ' VAL . 51.2 mt -103.35 143.44 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.873 ' OE1' HD12 ' A' ' 55' ' ' ILE . 18.1 tt0 -139.72 137.98 35.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -101.72 141.71 34.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.443 ' HD3' HD11 ' A' ' 55' ' ' ILE . 11.2 ptt85 -144.12 148.18 34.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 100' ' ' ASN . 4.5 p30 -127.11 -176.48 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.4 t -40.3 -39.53 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -66.81 -75.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.418 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -164.74 -161.37 13.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.42 ' HA ' ' CB ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -97.32 -179.45 4.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.313 . . . . 0.0 110.918 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -130.76 -158.54 9.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 173.38 11.01 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.761 2.307 . . . . 0.0 112.364 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -111.47 153.31 26.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.4 p -84.68 157.6 21.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -48.84 143.33 5.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -55.84 106.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 83.1 t -82.03 103.6 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -77.09 119.26 20.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -131.61 108.78 9.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -70.98 125.44 26.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.661 HG21 ' O ' ' A' ' 87' ' ' THR . 4.7 p -66.93 142.99 97.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 0.0 111.109 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -163.54 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -138.34 158.3 44.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.814 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -149.93 176.09 11.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.887 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -116.48 124.78 50.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.63 151.84 7.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -85.12 178.19 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.6 m -132.74 147.75 52.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.63 -79.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.4 m -84.99 86.01 7.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.79 0.329 . . . . 0.0 111.137 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.59 46.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -89.23 58.38 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.23 -160.69 28.42 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.33 148.91 21.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.378 . . . . 0.0 111.101 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.5 p -86.62 -17.9 32.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -162.31 151.83 15.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.802 ' C ' HD22 ' A' ' 16' ' ' LEU . 5.4 mt-10 -116.34 154.24 30.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.802 HD22 ' C ' ' A' ' 15' ' ' GLU . 2.5 mm? -125.7 111.57 15.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 m -47.29 153.46 0.93 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.614 0.721 . . . . 0.0 111.151 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 93.56 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.752 2.301 . . . . 0.0 112.374 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.3 t -83.8 30.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.4 p -136.85 141.99 37.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 154.59 67.61 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.375 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.84 26.25 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.665 2.244 . . . . 0.0 112.346 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -119.96 169.94 9.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 58.26 45.69 16.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.495 HG13 HD12 ' A' ' 96' ' ' ILE . 70.1 t -79.73 107.16 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.2 p -130.39 145.36 51.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.616 HG22 HG22 ' A' ' 39' ' ' VAL . 55.8 t -132.3 105.02 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.5 m -106.49 176.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.5 m -114.87 140.42 48.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 16.1 tptt -55.86 151.48 11.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.482 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 27.6 tt0 -84.58 101.18 11.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.87 -31.41 8.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.425 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 17.3 tptt -109.03 103.19 51.52 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.562 0.696 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 53.4 Cg_endo -69.82 -37.02 9.59 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.307 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -69.67 -8.77 50.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.6 m -113.2 141.18 47.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.4 pt -144.04 153.47 15.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.6 mp -115.39 133.89 60.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.616 HG22 HG22 ' A' ' 27' ' ' VAL . 99.2 t -117.74 116.17 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -105.48 157.71 17.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.773 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 36.4 p90 -163.04 175.53 11.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -140.6 155.28 69.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.575 0.702 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 144.92 55.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.633 2.222 . . . . 0.0 112.37 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 152.99 69.68 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.357 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -64.81 -45.4 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' ALA . 9.2 mt-10 -45.9 -58.51 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 34.66 52.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' ALA . 90.4 m-20 -34.43 -34.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -135.04 -131.31 3.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -111.78 -176.25 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.87 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.534 HD13 ' O ' ' A' ' 50' ' ' LYS . 48.7 mm -129.15 148.0 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.5 p -130.65 -30.41 1.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.152 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.46 -176.26 38.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.54 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.423 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 55.4 m-85 -141.96 161.7 37.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.842 0.353 . . . . 0.0 110.936 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 93.6 mt -136.34 135.4 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.773 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 87.8 mt -117.89 143.02 29.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -118.76 137.63 53.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.97 ' CE2' HG11 ' A' ' 70' ' ' VAL . 3.7 p90 -149.88 140.5 22.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.0 t -163.58 140.06 6.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.1 p -48.5 -33.86 10.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -95.89 161.94 13.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.563 ' HB ' ' CE1' ' A' ' 93' ' ' TYR . 7.1 p -116.1 -38.43 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -77.68 -5.25 49.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.32 153.89 29.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 67' ' ' HIS . 23.2 mt-10 -77.89 135.53 37.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 65' ' ' GLU . 9.1 tp -34.92 -31.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' GLU . 1.5 m-70 -53.03 -50.99 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -65.53 -35.71 81.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.592 ' CZ3' ' HE2' ' A' ' 95' ' ' LYS . 36.9 m95 -54.68 134.02 47.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.97 HG11 ' CE2' ' A' ' 58' ' ' TYR . 8.7 p -76.11 150.64 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.546 HG22 ' HD3' ' A' ' 73' ' ' PRO . 79.5 mt -107.49 112.51 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -107.12 84.18 1.58 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.686 0.755 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.546 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.2 Cg_endo -69.8 130.33 19.09 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.673 2.249 . . . . 0.0 112.306 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.585 HG11 ' HB3' ' A' ' 78' ' ' ARG . 99.0 t -100.36 136.52 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.9 m -100.92 163.4 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.18 32.72 84.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.0 p30 39.03 43.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.326 . . . . 0.0 110.905 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.585 ' HB3' HG11 ' A' ' 74' ' ' VAL . 1.1 tpt180 -73.77 149.01 42.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.478 ' HA ' ' CE2' ' A' ' 41' ' ' TRP . 35.9 mt -104.74 5.52 33.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 t -137.45 149.69 47.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -143.61 148.07 35.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.828 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.452 ' CD ' ' N ' ' A' ' 82' ' ' GLN . 2.9 mp0 -119.56 133.97 55.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.8 mt -124.27 114.97 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -108.1 175.11 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 61.44 48.13 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.3 mt -106.54 179.26 4.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.6 m -95.37 148.47 22.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.154 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.422 ' HB3' ' CE ' ' A' ' 117' ' ' LYS . 53.6 mt -97.98 168.76 10.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.1 t70 39.21 47.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.8 m -145.42 129.91 8.9 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.539 0.685 . . . . 0.0 111.164 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 108.5 2.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -110.08 130.82 55.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.563 ' CE1' ' HB ' ' A' ' 62' ' ' VAL . 5.7 m-85 -101.24 124.68 47.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -113.85 151.73 31.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.592 ' HE2' ' CZ3' ' A' ' 69' ' ' TRP . 44.5 mtmt -139.93 140.31 36.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.592 HD13 ' HB3' ' A' ' 41' ' ' TRP . 9.1 mt -120.23 141.86 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.485 ' NE2' ' HB3' ' A' ' 104' ' ' MET . 1.8 pt20 -138.46 170.3 16.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -125.84 126.18 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -124.66 143.91 50.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.6 p30 -126.67 -177.33 3.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.3 t -38.38 -41.07 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.804 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -68.06 -73.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.54 -149.57 6.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.485 ' HB3' ' NE2' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -108.43 172.07 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 110.905 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -123.51 -160.56 10.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 143.32 50.59 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 8.1 mtt -85.97 149.02 25.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.4 p -76.63 169.43 18.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -57.05 147.34 24.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.04 114.47 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.68 105.6 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.075 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -82.33 112.22 19.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -127.81 109.29 11.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.2 ttp-105 -70.9 117.68 12.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.4 p -55.74 148.18 37.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.624 0.726 . . . . 0.0 111.089 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.422 ' CE ' ' HB3' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -142.78 147.46 35.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.77 115.4 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.5 t -111.62 94.82 5.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 98.94 145.91 19.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -11.65 31.2 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.633 2.222 . . . . 0.0 112.351 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.1 t -89.72 140.35 29.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.828 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 23.2 t -173.32 131.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -87.47 -56.33 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.867 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t 56.71 42.23 27.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.95 174.47 16.46 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -91.74 88.75 6.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.87 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.2 m -141.31 122.98 15.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.31 116.23 4.97 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 m -80.76 107.53 13.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.776 0.322 . . . . 0.0 111.185 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.67 47.92 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.478 ' CG ' ' N ' ' A' ' 11' ' ' GLY . 67.0 t60 -171.91 162.66 6.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.478 ' N ' ' CG ' ' A' ' 10' ' ' HIS . . . -90.86 115.99 4.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.477 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 14' ' ' PHE . 3.4 m -35.72 134.66 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 111.114 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.4 p -82.06 -10.93 59.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.637 ' H ' HG22 ' A' ' 12' ' ' THR . 79.5 t80 -174.85 108.75 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.42 ' O ' HD13 ' A' ' 16' ' ' LEU . 17.1 mm-40 -59.23 165.63 2.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.437 ' N ' HD22 ' A' ' 16' ' ' LEU . 2.8 mm? -124.63 110.71 14.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -51.22 153.42 3.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.665 0.745 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 94.82 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 p -76.65 7.82 4.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.4 t -116.13 137.69 23.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.67 0.747 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.28 31.5 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.366 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 164.83 33.15 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.288 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -126.87 179.75 5.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 t0 49.92 36.7 12.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.9 t -68.18 110.24 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.6 p -138.42 148.06 44.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.9 t -131.23 111.18 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 38' ' ' ILE . 28.9 m -110.17 164.67 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.4 p -106.8 153.35 22.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 16.8 tptm -84.85 150.51 24.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 32.8 tt0 -86.06 -61.8 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -45.73 -30.28 3.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' CE ' ' HB2' ' A' ' 35' ' ' LYS . 1.1 tmtm? -143.53 130.22 10.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.55 0.691 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -51.61 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.403 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HB2' ' CE ' ' A' ' 33' ' ' LYS . 37.4 mttp -59.08 -19.13 41.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.5 m -90.09 129.9 36.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.077 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.6 pt -132.51 162.14 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.475 ' O ' HG22 ' A' ' 28' ' ' VAL . 5.1 mp -128.03 120.49 53.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 65.4 t -99.0 117.57 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -103.28 151.3 22.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.604 ' CH2' HD11 ' A' ' 56' ' ' ILE . 23.8 p90 -168.29 177.79 5.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -144.16 157.64 56.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.595 0.712 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 153.2 69.17 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.383 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 146.06 59.25 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.4 t -63.91 -23.08 67.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -97.3 58.71 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 48' ' ' ASN . . . -81.66 60.49 4.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 47' ' ' ALA . 20.1 m-20 -34.24 -36.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -125.1 -164.65 11.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -101.93 132.39 47.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.725 0.298 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.824 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 10.5 mm -82.82 137.28 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.157 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 p -109.92 -31.07 7.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.471 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -170.34 -179.81 42.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.824 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 2.5 m-85 -141.09 161.43 37.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.821 0.344 . . . . 0.0 110.957 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.921 HD12 ' NH1' ' A' ' 99' ' ' ARG . 46.3 mt -138.38 117.45 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.604 HD11 ' CH2' ' A' ' 41' ' ' TRP . 26.3 mt -95.66 147.32 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -129.81 118.85 22.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.77 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 12.2 p90 -120.47 148.48 43.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.518 ' HB2' ' CD2' ' A' ' 69' ' ' TRP . 1.7 m -171.94 146.8 2.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.1 p -70.5 -14.87 62.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -100.55 120.63 40.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.509 ' O ' HG22 ' A' ' 62' ' ' VAL . 9.9 p -87.05 2.13 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -121.37 -17.85 7.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.99 140.68 4.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.611 ' HB3' ' CE1' ' A' ' 67' ' ' HIS . 6.2 mp0 -42.71 129.26 4.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.1 tp -42.82 -31.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.611 ' CE1' ' HB3' ' A' ' 65' ' ' GLU . 2.3 p-80 -83.58 -29.87 27.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' GLU . 8.8 m-20 -59.11 -27.11 65.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.518 ' CD2' ' HB2' ' A' ' 59' ' ' SER . 16.9 m95 -62.7 155.14 27.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.77 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 13.5 p -74.51 147.0 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.585 HG22 ' HD3' ' A' ' 73' ' ' PRO . 83.9 mt -99.02 120.19 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.584 ' OE1' HG13 ' A' ' 70' ' ' VAL . 4.7 mp0 -124.57 85.12 56.63 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.671 0.748 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.585 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.6 Cg_endo -69.79 148.59 65.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.315 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 60.4 t -119.97 119.0 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.3 m -79.3 164.11 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 77' ' ' ASN . . . 51.17 35.03 33.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' GLY . 0.5 OUTLIER 34.7 54.7 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.484 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 4.3 tpt180 -75.54 123.09 24.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.9 mt -75.25 -4.02 36.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 t -137.87 138.47 39.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -126.1 158.54 35.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -120.21 97.59 5.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.598 HG22 HD11 ' A' ' 86' ' ' LEU . 85.5 mt -98.77 120.02 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -123.91 -175.78 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 62.18 50.32 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.598 HD11 HG22 ' A' ' 83' ' ' ILE . 30.9 mt -118.57 174.19 6.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.424 ' O ' HG21 ' A' ' 115' ' ' THR . 22.0 m -86.49 146.72 26.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.6 mt -96.93 170.88 8.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 21.1 t0 40.48 43.87 1.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.424 HG23 ' HD2' ' A' ' 91' ' ' PRO . 93.3 m -143.45 132.97 11.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.642 0.734 . . . . 0.0 111.133 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.424 ' HD2' HG23 ' A' ' 90' ' ' THR . 53.8 Cg_endo -69.74 108.55 2.1 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -109.79 145.16 37.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -115.11 141.67 47.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -128.18 153.88 46.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -138.67 131.36 29.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.1 mt -114.54 144.66 21.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 33.4 tt0 -153.56 138.25 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.61 144.33 29.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.921 ' NH1' HD12 ' A' ' 55' ' ' ILE . 11.6 ptp180 -149.52 157.99 43.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -125.42 -175.98 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.7 t -49.28 -32.42 10.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -71.27 -68.5 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.57 -169.76 32.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.432 ' CG ' ' HD3' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -103.01 167.57 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 110.883 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.496 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -113.09 -155.82 12.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.86 49.07 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.467 ' SD ' ' NE2' ' A' ' 97' ' ' GLN . 11.4 mmt -82.77 153.13 25.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 85.4 p -84.87 162.16 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 110' ' ' ALA . 7.6 pt-20 -68.62 124.53 23.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 109' ' ' GLU . . . -35.07 144.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.0 t -117.76 102.0 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -73.35 99.87 3.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -115.45 113.53 23.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -70.99 131.75 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.424 HG21 ' O ' ' A' ' 87' ' ' THR . 19.2 p -70.01 149.61 96.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.593 0.711 . . . . 0.0 111.131 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -163.72 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.542 ' HA ' ' HZ3' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -142.1 147.02 36.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.55 77.24 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 t -117.85 -69.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 161.7 77.16 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 96.18 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 2.253 . . . . 0.0 112.365 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 123' ' ' SER . 3.6 t -70.59 116.91 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 122' ' ' SER . 32.2 t -35.65 -51.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -167.55 107.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -162.54 129.31 3.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.03 160.28 23.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 t -171.35 162.03 6.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.858 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -104.65 154.52 19.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.59 124.42 0.9 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.0 p -51.71 138.36 23.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 111.131 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.45 163.34 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -92.4 117.56 30.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -137.88 129.06 4.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.532 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.26 53.6 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 111.155 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.9 m -100.22 116.74 32.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.436 ' CD1' ' O ' ' A' ' 14' ' ' PHE . 29.8 p90 -68.09 116.61 8.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.488 ' HB3' ' CG ' ' A' ' 102' ' ' LYS . 4.7 tt0 -55.31 -177.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 mt -138.62 115.36 10.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.415 HG12 ' HB2' ' A' ' 102' ' ' LYS . 20.4 m -52.05 152.99 5.05 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.629 0.728 . . . . 0.0 111.109 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' O ' ' HD2' ' A' ' 106' ' ' PRO . 53.8 Cg_endo -69.82 100.79 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.8 t -85.46 26.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 m -136.27 134.63 20.14 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.27 38.87 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.32 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.556 ' HG3' HG22 ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.77 174.39 9.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.71 -176.54 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 39.8 54.01 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 t -87.76 109.73 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.9 p -128.42 145.41 51.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.414 HG13 HG22 ' A' ' 39' ' ' VAL . 43.2 t -130.02 109.43 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.5 m -115.9 166.63 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 p -103.5 155.87 18.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -91.68 143.56 26.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -73.46 -65.92 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -37.92 -37.92 0.47 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.441 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HE2' ' CG ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -143.28 133.54 12.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.562 0.696 . . . . 0.0 110.886 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -51.09 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.42 ' CG ' ' HE2' ' A' ' 33' ' ' LYS . 24.6 mttm -52.88 -35.9 58.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.9 m -73.22 130.97 41.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.475 HD11 ' CE2' ' A' ' 94' ' ' PHE . 6.8 pt -137.17 153.64 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.631 HD12 ' N ' ' A' ' 38' ' ' ILE . 3.5 mp -112.85 134.3 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.414 HG22 HG13 ' A' ' 27' ' ' VAL . 95.1 t -121.94 108.97 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -99.67 156.33 17.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.933 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 35.7 p90 -165.83 179.02 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -141.99 153.64 64.14 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.642 0.734 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 147.51 62.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.242 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 132.49 23.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.2 m -48.63 -31.21 6.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -85.69 73.27 10.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -85.79 59.03 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' ALA . 72.5 m-80 -34.67 -32.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -141.06 171.9 23.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 100' ' ' ASN . 18.3 tttt -72.29 132.59 44.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.754 0.312 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.48 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 4.4 mm -81.14 140.54 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.8 p -119.46 -14.55 9.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.9 173.85 38.99 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.443 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.48 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 59.5 m-85 -131.15 158.48 40.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.45 HD12 ' SD ' ' A' ' 104' ' ' MET . 67.4 mt -135.52 131.01 50.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.152 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.933 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 91.0 mt -109.76 140.04 30.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -126.17 115.1 19.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.535 ' CE2' HG11 ' A' ' 70' ' ' VAL . 2.4 p90 -125.5 147.09 49.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.491 ' HB2' ' CD2' ' A' ' 69' ' ' TRP . 2.1 m -169.86 152.76 4.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.431 HG22 ' CZ ' ' A' ' 92' ' ' TYR . 17.1 p -64.9 -40.27 94.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.118 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.463 ' CG ' ' HB2' ' A' ' 64' ' ' ALA . 1.1 p30 -80.28 137.07 36.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.548 ' O ' HG22 ' A' ' 62' ' ' VAL . 14.0 p -100.84 1.37 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -116.21 -24.18 8.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.463 ' HB2' ' CG ' ' A' ' 61' ' ' ASP . . . -45.61 139.94 3.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.583 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . 2.8 mp0 -47.78 130.09 14.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 67' ' ' HIS . 6.2 tp -38.11 -41.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.583 ' CD2' ' HB3' ' A' ' 65' ' ' GLU . 13.2 p80 -65.33 -40.64 93.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.53 ' N ' ' ND1' ' A' ' 67' ' ' HIS . 28.1 t70 -52.3 -29.99 26.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.491 ' CD2' ' HB2' ' A' ' 59' ' ' SER . 12.2 m95 -64.66 160.71 19.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.535 HG11 ' CE2' ' A' ' 58' ' ' TYR . 4.3 p -79.35 144.12 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.469 HG22 ' HD3' ' A' ' 73' ' ' PRO . 80.3 mt -100.51 106.11 18.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -107.87 84.85 2.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.469 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.8 Cg_endo -69.74 150.4 68.3 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.371 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.5 t -119.36 121.38 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.8 m -76.32 155.72 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.28 169.42 0.13 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -73.21 66.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -106.55 154.39 20.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.503 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 4.3 mt -124.61 8.04 8.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 t -131.46 138.25 48.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -132.89 148.03 52.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -112.07 97.81 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.417 HD13 ' CD2' ' A' ' 58' ' ' TYR . 72.4 mt -89.58 135.13 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -126.56 -179.85 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 62.14 44.7 7.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.2 mt -109.75 153.38 24.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.805 ' O ' HG21 ' A' ' 115' ' ' THR . 0.8 OUTLIER -78.43 146.47 34.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 mt -97.7 168.69 10.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.2 t70 47.66 39.34 9.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -145.73 129.75 8.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.528 0.68 . . . . 0.0 111.154 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 111.59 2.85 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.431 ' CZ ' HG22 ' A' ' 60' ' ' THR . 9.1 m-85 -107.37 150.29 26.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -114.77 125.1 53.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.475 ' CE2' HD11 ' A' ' 37' ' ' ILE . 56.2 m-85 -113.25 150.93 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -135.99 139.06 42.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.566 HD13 ' HB3' ' A' ' 41' ' ' TRP . 10.6 mt -122.49 141.99 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.478 ' NE2' ' HB3' ' A' ' 104' ' ' MET . 0.0 OUTLIER -156.98 146.34 20.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.453 ' N ' ' HG2' ' A' ' 97' ' ' GLN . . . -98.74 163.22 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -148.77 143.08 26.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 7.8 p-10 -127.85 -177.69 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.2 m -37.58 -40.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.488 ' CG ' ' HB3' ' A' ' 15' ' ' GLU . 7.1 mmpt? -65.29 -75.23 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -171.68 -154.76 10.19 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.478 ' HB3' ' NE2' ' A' ' 97' ' ' GLN . 33.5 mtm -95.69 165.73 12.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -109.31 -168.01 20.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 18' ' ' PRO . 54.0 Cg_endo -69.72 138.42 37.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.357 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 13.7 mmt -66.07 131.85 47.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.3 p -65.22 163.79 14.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.14 120.61 9.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -43.36 125.28 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.8 t -99.6 113.7 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -82.58 110.81 18.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -128.27 116.04 19.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -73.8 127.84 33.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.805 HG21 ' O ' ' A' ' 87' ' ' THR . 4.6 p -63.9 149.49 93.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.615 0.722 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.409 ' HZ3' ' HA ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -141.47 146.34 36.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.42 138.57 51.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.0 t -104.33 161.26 14.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.869 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -101.67 -78.91 1.36 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 111.92 2.95 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.0 m -71.52 124.25 24.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 m -158.8 106.72 1.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.5 p -97.05 175.36 6.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 0.0 110.825 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 p -48.17 121.3 4.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.63 124.5 1.39 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -101.2 119.93 39.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.876 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 t -106.97 124.24 49.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.46 120.51 0.52 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.2 m -77.88 141.2 39.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.78 0.324 . . . . 0.0 111.138 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 10' ' ' HIS . . . -91.2 140.15 30.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' ALA . 31.4 m-70 -38.04 130.73 1.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.94 103.41 0.17 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.4 p -66.48 95.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 111.169 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.8 p 40.27 46.86 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -104.05 156.65 17.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.478 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 1.6 tp10 -171.3 159.6 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -119.85 112.27 19.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 m -45.86 154.01 0.6 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.456 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 54.3 Cg_endo -69.75 106.59 1.69 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.1 p -85.12 22.44 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.9 m -135.5 139.37 31.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.687 0.756 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 168.03 22.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 178.09 4.93 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -137.3 -175.94 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 45.46 33.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.4 t -67.59 114.48 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.1 p -140.45 145.58 37.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.193 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 t -129.55 118.21 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -122.93 166.64 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.8 p -116.61 129.71 56.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 tptp -47.53 152.23 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -88.79 -25.4 22.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -98.25 1.03 58.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -159.18 113.41 1.57 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.537 0.684 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -28.1 25.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.257 . . . . 0.0 112.342 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -76.53 -21.65 55.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.5 m -91.52 146.37 23.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.595 ' CD1' ' CZ ' ' A' ' 94' ' ' PHE . 19.3 pt -146.12 150.92 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.78 138.93 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.0 t -123.09 111.56 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -103.1 152.95 20.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.644 ' CH2' HD11 ' A' ' 56' ' ' ILE . 37.8 p90 -165.43 -175.64 3.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.44 ' CD ' ' HD2' ' A' ' 43' ' ' PRO . 17.5 mm-40 -140.03 159.97 62.22 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.547 0.689 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.44 ' HD2' ' CD ' ' A' ' 42' ' ' GLN . 53.6 Cg_endo -69.83 159.73 52.28 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.645 2.23 . . . . 0.0 112.308 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 149.33 67.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.282 . . . . 0.0 112.357 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.2 t -67.11 -45.76 76.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -57.51 -63.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 37.71 51.11 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -41.5 -25.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -124.02 -154.38 8.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.517 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.75 126.0 54.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.591 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 25.9 mm -69.38 146.61 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.7 p -124.51 -34.57 2.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.33 176.08 39.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.441 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.591 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 78.9 m-85 -134.83 158.3 44.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.8 mt -135.22 129.18 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.644 HD11 ' CH2' ' A' ' 41' ' ' TRP . 89.5 mt -108.43 142.46 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -127.53 125.63 40.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.629 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 1.9 p90 -140.16 156.1 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -172.25 173.89 4.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.2 p -87.92 32.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -161.11 154.33 21.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.447 ' HB ' ' CE2' ' A' ' 93' ' ' TYR . 14.5 p -107.81 -23.93 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -97.27 -17.58 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.558 ' HB1' ' CG ' ' A' ' 68' ' ' ASP . . . -48.18 147.38 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 67' ' ' HIS . 10.6 mp0 -67.15 133.99 50.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.4 tp -39.16 -26.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' GLU . 0.6 OUTLIER -55.15 -53.06 60.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.558 ' CG ' ' HB1' ' A' ' 64' ' ' ALA . 0.6 OUTLIER -62.21 -37.48 85.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.402 ' CD1' ' OD1' ' A' ' 68' ' ' ASP . 40.6 m95 -53.07 121.46 7.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.629 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 7.0 p -66.09 153.38 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.517 HG22 ' HD3' ' A' ' 73' ' ' PRO . 84.0 mt -106.54 114.02 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -115.31 86.51 14.65 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.672 0.749 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.517 ' HD3' HG22 ' A' ' 71' ' ' ILE . 54.0 Cg_endo -69.71 142.28 47.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.5 t -108.13 106.36 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 m -62.25 161.61 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.64 178.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -80.92 57.13 2.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -102.23 139.94 37.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.512 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 8.9 mt -110.92 9.98 22.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -129.76 138.81 51.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -128.41 148.72 50.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -119.41 96.52 5.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 42.3 mt -92.47 139.65 17.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -128.76 -179.96 5.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 58.59 51.59 7.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 33.2 mt -109.77 146.37 35.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -73.01 131.8 42.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' ASP . 11.1 mt -81.87 177.76 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' LEU . 23.1 t0 36.27 45.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.563 HG23 ' HD2' ' A' ' 91' ' ' PRO . 97.0 m -148.7 136.24 10.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 111.134 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 90' ' ' THR . 53.1 Cg_endo -69.76 123.3 9.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.722 2.281 . . . . 0.0 112.309 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -123.83 126.63 46.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.447 ' CE2' ' HB ' ' A' ' 62' ' ' VAL . 5.5 m-85 -103.05 120.66 41.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.595 ' CZ ' ' CD1' ' A' ' 37' ' ' ILE . 51.4 m-85 -105.68 155.14 19.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -144.11 135.49 25.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 56.3 mt -108.61 147.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 2.6 tp-100 -145.85 132.39 19.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -103.1 123.75 47.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 100' ' ' ASN . 9.9 ttt180 -123.64 148.73 46.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.406 ' N ' ' HG3' ' A' ' 99' ' ' ARG . 13.9 p-10 -127.18 -175.71 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.4 t -44.79 -21.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.478 ' HE3' ' N ' ' A' ' 15' ' ' GLU . 49.1 mmtt -85.23 -75.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.09 -150.3 6.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 46.1 mtm -97.32 167.51 10.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -116.57 -154.72 10.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.456 ' CD ' ' O ' ' A' ' 18' ' ' PRO . 53.7 Cg_endo -69.73 142.0 46.87 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 36.4 mtt -84.18 135.94 34.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 91.7 p -71.23 170.95 11.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.49 126.13 30.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -37.92 120.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.045 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.1 t -96.28 105.05 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -81.63 109.82 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -125.68 119.06 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm-85 -75.75 131.79 40.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.9 p -73.53 148.77 88.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 111.131 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -140.49 157.86 44.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -78.11 69.13 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.2 p -115.22 -50.83 2.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.93 133.82 44.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 175.32 8.27 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 30.0 p -93.38 -56.57 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.4 t -140.18 122.05 15.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.796 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -92.47 -48.73 6.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.388 . . . . 0.0 110.866 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -105.63 90.35 3.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.02 -107.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 t -154.11 147.12 24.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -145.19 170.34 16.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.49 -46.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.1 m -88.49 88.93 7.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 0.0 111.146 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.54 132.59 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -105.56 39.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 145.7 56.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.655 ' O ' HG22 ' A' ' 12' ' ' THR . 25.1 m 47.74 30.15 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 111.135 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.9 p -86.05 115.52 23.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -119.13 155.5 31.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.741 ' C ' HD22 ' A' ' 16' ' ' LEU . 23.0 mt-10 -135.52 164.39 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.741 HD22 ' C ' ' A' ' 15' ' ' GLU . 2.3 mm? -122.91 110.45 15.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.4 m -52.25 153.04 5.33 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.729 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 96.89 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.8 p -79.78 6.26 11.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -118.97 141.25 29.86 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.699 0.762 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 169.56 18.59 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.732 2.288 . . . . 0.0 112.335 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -166.82 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -150.29 -179.64 7.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 44.65 48.6 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.0 t -77.21 116.08 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.3 p -136.68 142.02 43.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.476 HG13 HG22 ' A' ' 39' ' ' VAL . 22.6 t -131.33 106.84 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.1 m -105.72 -179.21 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -118.55 157.54 27.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 14.7 tptp -92.25 150.12 21.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 27.1 tt0 -90.55 -57.9 2.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.87 -16.3 3.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.05 119.64 2.76 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.552 0.691 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -35.55 12.47 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -77.72 10.32 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.5 m -119.48 144.58 46.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.494 HD11 ' CE2' ' A' ' 94' ' ' PHE . 9.9 pt -142.3 155.04 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.587 HD12 ' N ' ' A' ' 38' ' ' ILE . 3.7 mp -118.94 124.24 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.476 HG22 HG13 ' A' ' 27' ' ' VAL . 44.1 t -108.11 125.41 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -116.51 161.27 19.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.611 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 45.2 p90 -170.55 179.82 3.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -141.63 153.66 65.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 155.14 66.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.639 2.226 . . . . 0.0 112.31 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 140.13 42.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.242 . . . . 0.0 112.373 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -60.3 -32.46 71.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' ALA . 17.7 mt-10 -58.62 -57.19 14.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 35.87 52.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' ALA . 57.5 m-20 -35.65 -31.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -132.73 -104.14 0.89 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -145.5 176.05 9.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.812 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 41.6 mm -129.8 146.32 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.3 p -127.27 -28.91 2.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.521 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -165.46 -175.67 36.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.812 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 13.5 m-85 -146.86 175.38 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 110.921 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.574 HD11 ' HD3' ' A' ' 99' ' ' ARG . 22.1 mt -140.89 134.68 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.611 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 79.3 mt -113.83 130.78 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 3.5 m-85 -117.28 116.01 26.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.876 ' CE2' HG11 ' A' ' 70' ' ' VAL . 12.5 p90 -127.41 145.19 50.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.457 ' HB3' ' CD2' ' A' ' 69' ' ' TRP . 3.5 p -158.59 168.38 27.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.2 p -89.13 -14.8 35.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.423 ' O ' ' CZ2' ' A' ' 69' ' ' TRP . 0.5 OUTLIER -107.13 136.14 47.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.4 p -93.26 -10.49 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -109.62 -17.56 13.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.54 137.31 43.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -51.85 139.93 20.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 66' ' ' ILE . 8.1 tp -54.29 -18.74 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 67' ' ' HIS . 1.4 p-80 -78.69 -25.56 44.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -78.46 -29.28 46.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.457 ' CD2' ' HB3' ' A' ' 59' ' ' SER . 11.2 m0 -61.73 159.65 13.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.876 HG11 ' CE2' ' A' ' 58' ' ' TYR . 4.5 p -82.87 153.83 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.606 HG22 ' HD3' ' A' ' 73' ' ' PRO . 98.8 mt -108.49 116.04 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -114.09 84.32 8.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.606 ' HD3' HG22 ' A' ' 71' ' ' ILE . 54.1 Cg_endo -69.79 136.32 32.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.641 2.227 . . . . 0.0 112.395 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.8 t -104.33 121.01 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.2 m -77.67 169.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.82 -176.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -83.71 41.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -84.81 138.47 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.524 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 4.8 mt -111.01 10.71 22.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.5 t -136.04 146.04 46.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -136.77 164.86 27.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -129.18 109.75 11.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.9 mt -103.82 123.39 57.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -115.27 -176.23 2.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 62.51 38.84 12.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.4 mt -101.65 161.75 13.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.28 140.0 29.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.171 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 mt -84.88 172.41 11.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.1 t0 39.75 40.52 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.7 m -140.09 129.02 13.35 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 111.147 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 106.1 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -104.58 136.0 44.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -106.8 127.86 53.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.494 ' CE2' HD11 ' A' ' 37' ' ' ILE . 26.3 m-85 -116.84 154.72 30.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -141.02 135.58 31.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.591 HD13 ' HB3' ' A' ' 41' ' ' TRP . 9.8 mt -115.13 143.12 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.407 ' OE1' ' C ' ' A' ' 106' ' ' PRO . 22.4 tt0 -146.78 149.22 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.64 150.26 23.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.574 ' HD3' HD11 ' A' ' 55' ' ' ILE . 7.7 ptt180 -152.32 149.27 28.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.8 p30 -127.11 175.95 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -47.18 -27.49 1.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -73.43 -71.98 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -159.12 -153.51 6.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.454 ' SD ' ' CD1' ' A' ' 55' ' ' ILE . 46.5 mtm -115.78 158.58 22.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.62 -160.89 22.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.407 ' C ' ' OE1' ' A' ' 97' ' ' GLN . 53.4 Cg_endo -69.72 155.34 66.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.738 2.292 . . . . 0.0 112.321 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 7.1 mtt -98.39 145.49 26.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 t -77.51 167.86 20.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.7 pm0 -67.46 151.65 47.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.35 108.97 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.9 t -82.54 102.05 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -79.79 130.23 35.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 114' ' ' ARG . 32.5 t80 -147.36 127.28 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.429 ' O ' ' CE1' ' A' ' 113' ' ' PHE . 54.7 ttm-85 -80.86 146.17 30.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.2 p -88.76 147.26 38.78 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 111.177 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -163.82 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -139.12 151.68 46.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.27 138.74 55.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 79.0 p -119.57 157.59 28.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -89.08 -173.22 46.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 160.22 50.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.5 p -99.17 152.7 19.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.7 t -165.62 108.95 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 p -53.23 158.01 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -174.94 165.78 3.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.19 -148.92 7.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.441 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 p -161.61 112.95 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -147.37 130.64 16.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.97 175.08 21.83 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.3 p -80.82 91.36 5.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 111.107 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.5 158.02 39.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -74.07 87.37 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.79 79.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.8 p -46.16 -46.92 17.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.357 . . . . 0.0 111.169 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.0 m -66.22 128.25 35.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -119.31 128.53 54.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -141.83 156.9 45.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.3 mt -133.28 110.08 9.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 m -47.23 152.03 1.15 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 101.53 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.73 2.286 . . . . 0.0 112.329 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 p -81.88 12.37 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -130.4 139.1 34.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 166.81 26.4 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 166.16 28.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.238 . . . . 0.0 112.381 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -116.65 -177.26 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 40.42 48.65 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.5 t -80.24 111.03 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.7 p -139.08 151.77 47.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.13 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.9 t -130.37 107.01 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 38' ' ' ILE . 28.8 m -104.11 177.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 m -116.72 150.95 37.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 17.2 tptp -85.63 149.55 25.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 38.1 tt0 -83.67 -67.14 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -39.04 -27.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -147.75 132.31 8.8 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.567 0.699 . . . . 0.0 110.918 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -51.99 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -59.08 -24.31 62.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 84' ' ' GLN . 97.3 m -80.31 135.86 36.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.1 pt -136.99 168.47 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.42 ' O ' HG22 ' A' ' 28' ' ' VAL . 5.3 mp -135.13 116.94 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.469 HG12 ' HE3' ' A' ' 41' ' ' TRP . 85.8 t -94.84 113.76 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.47 139.58 34.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.795 ' CH2' HD11 ' A' ' 56' ' ' ILE . 30.9 p90 -158.84 171.77 19.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -135.67 160.72 66.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 154.5 67.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 153.29 68.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.31 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.7 t -62.55 -49.77 73.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' ALA . 3.3 mm-40 -46.0 -55.59 6.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 35.85 51.81 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -76.18 52.2 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 156.15 153.92 6.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.511 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -64.53 119.78 11.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.746 0.308 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.633 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 14.0 mm -72.42 131.28 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.7 p -101.26 -39.8 7.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -171.03 178.61 43.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.633 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 38.3 m-85 -131.78 157.21 44.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.38 . . . . 0.0 110.881 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.2 mt -123.22 146.16 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.795 HD11 ' CH2' ' A' ' 41' ' ' TRP . 82.4 mt -126.39 132.02 70.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -119.52 128.7 54.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.662 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 2.5 p90 -142.29 137.3 30.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 t -158.34 140.22 13.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.0 p -49.26 -37.95 25.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.77 150.44 25.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.533 ' HB ' ' CE1' ' A' ' 93' ' ' TYR . 13.1 p -108.96 -21.94 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.427 ' OD1' HG13 ' A' ' 62' ' ' VAL . 24.7 m120 -108.24 29.22 7.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.45 135.57 41.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -48.05 134.21 14.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.3 tp -45.55 -23.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -57.94 -44.34 86.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.98 -36.41 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -54.24 133.9 44.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.663 HG13 ' OE1' ' A' ' 72' ' ' GLU . 7.6 p -70.77 152.65 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.534 HG22 ' HD3' ' A' ' 73' ' ' PRO . 95.2 mt -105.44 113.04 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.663 ' OE1' HG13 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -108.54 84.59 2.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.642 0.734 . . . . 0.0 110.886 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.534 ' HD3' HG22 ' A' ' 71' ' ' ILE . 54.1 Cg_endo -69.76 134.06 27.07 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.386 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 43.4 t -100.52 138.1 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.6 m -105.61 170.64 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.52 35.53 66.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.448 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 40.45 36.94 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 29.8 ttt180 -73.66 144.12 45.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.542 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 82.0 mt -100.05 7.23 44.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.92 156.98 47.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -144.56 145.97 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -116.76 106.97 14.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 71.8 mt -101.12 131.15 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.405 ' HG2' HG23 ' A' ' 36' ' ' THR . 23.5 mt-30 -119.5 -179.57 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 62.05 35.91 15.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.3 mt -97.17 156.3 16.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.7 ' O ' HG21 ' A' ' 115' ' ' THR . 1.9 m -76.18 147.25 38.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 89' ' ' ASP . 28.0 mt -98.57 171.04 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 88' ' ' LEU . 35.9 t70 37.54 38.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.423 HG23 ' HD2' ' A' ' 91' ' ' PRO . 25.9 m -138.86 135.13 17.43 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.608 0.718 . . . . 0.0 111.153 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.423 ' HD2' HG23 ' A' ' 90' ' ' THR . 54.0 Cg_endo -69.74 123.98 10.64 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.249 . . . . 0.0 112.384 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -128.46 136.97 51.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.608 ' HB3' ' HB1' ' A' ' 110' ' ' ALA . 16.3 m-85 -106.62 126.6 52.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -111.37 158.77 18.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.468 ' NZ ' ' HB2' ' A' ' 110' ' ' ALA . 54.7 mttm -147.76 145.59 28.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.624 HD13 ' HB3' ' A' ' 41' ' ' TRP . 6.5 mt -126.16 147.48 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 33.1 tt0 -152.41 149.84 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 97' ' ' GLN . . . -105.64 152.09 23.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -151.47 137.17 17.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 101' ' ' SER . 34.3 p30 -123.34 -177.66 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 100' ' ' ASN . 67.4 m -36.34 -45.44 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -62.9 -70.38 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -174.02 -151.41 8.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.438 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.87 173.95 6.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.48 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -119.21 -154.66 9.61 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 154.28 67.81 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 8.8 mmt -94.12 133.68 37.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.2 p -74.09 163.44 27.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -56.42 165.26 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.608 ' HB1' ' HB3' ' A' ' 93' ' ' TYR . . . -87.16 113.11 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.96 106.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -78.93 102.38 8.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -117.2 110.97 18.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -71.07 122.19 19.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.7 HG21 ' O ' ' A' ' 87' ' ' THR . 19.2 p -58.38 145.12 76.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.52 0.676 . . . . 0.0 111.182 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -163.87 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.707 2.272 . . . . 0.0 112.303 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.37 148.71 47.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.94 114.17 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.9 m -107.29 -179.98 4.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -140.2 68.61 0.48 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 122.17 8.86 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.4 t -58.63 148.35 29.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 t -96.78 115.15 26.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.525 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 t -62.92 162.28 11.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -155.44 136.98 14.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.793 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.56 -168.22 37.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.525 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -134.12 154.65 51.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -157.72 162.62 38.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.88 -134.35 2.84 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.7 p -93.54 170.91 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.728 0.299 . . . . 0.0 111.205 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.83 166.11 11.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -110.11 -50.52 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -143.94 118.45 1.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.7 p -89.34 42.68 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.378 . . . . 0.0 111.157 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.3 m -122.16 -56.34 1.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -86.88 141.59 28.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -133.85 179.63 6.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mt -138.43 118.07 13.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.3 m -58.36 150.76 52.56 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.67 0.748 . . . . 0.0 111.14 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 101.73 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -86.59 22.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.3 p -138.5 143.48 38.54 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.671 0.748 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 161.41 46.03 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 179.32 3.73 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -130.93 178.27 6.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t70 53.32 34.33 17.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.516 HG11 HG21 ' A' ' 111' ' ' VAL . 67.6 t -73.13 117.36 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.6 p -136.97 146.66 45.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 39' ' ' VAL . 60.0 t -130.08 109.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.187 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 m -119.01 170.13 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.9 m -94.76 167.3 11.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -91.55 150.11 21.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -80.38 107.25 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.39 -46.97 1.08 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -114.46 123.24 32.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.55 0.69 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -46.35 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.724 2.283 . . . . 0.0 112.378 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -55.23 -43.39 74.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 m -71.56 129.93 39.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.42 HD11 ' CE2' ' A' ' 94' ' ' PHE . 8.0 pt -135.71 159.89 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.436 HD12 ' N ' ' A' ' 38' ' ' ILE . 5.0 mp -121.6 128.62 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 27' ' ' VAL . 71.3 t -115.92 102.15 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -92.39 155.87 17.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.558 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 21.8 p90 -166.66 -176.6 3.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -147.78 159.09 41.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 149.55 66.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 149.4 66.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.282 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' GLU . 6.5 t -53.55 -53.01 57.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ALA . 64.8 mm-40 -36.04 -53.99 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 34.21 52.31 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -75.82 48.92 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 155.25 171.84 22.28 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -85.23 113.23 21.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.74 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 35.1 mm -67.17 140.66 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.9 p -111.1 -36.81 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -164.0 -164.17 18.57 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.74 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 10.8 m-85 -154.34 143.75 21.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.962 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.473 ' CG2' ' CZ ' ' A' ' 57' ' ' TYR . 59.1 mt -112.16 137.52 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.558 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 83.9 mt -113.83 137.73 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.473 ' CZ ' ' CG2' ' A' ' 55' ' ' ILE . 9.0 m-85 -125.68 125.78 43.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.553 ' CE2' HG11 ' A' ' 70' ' ' VAL . 3.8 p90 -140.44 143.51 35.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -163.56 156.52 18.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.9 p -78.02 0.95 22.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.515 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 16.4 t0 -119.93 119.93 34.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.804 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.16 -32.21 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -90.12 14.15 13.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.515 ' HB2' ' HB3' ' A' ' 61' ' ' ASP . . . -85.26 143.32 28.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.524 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . 0.8 OUTLIER -57.07 134.77 56.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.0 tp -42.89 -35.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.524 ' CD2' ' HB3' ' A' ' 65' ' ' GLU . 2.6 p80 -62.58 -40.38 96.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.435 ' N ' ' ND1' ' A' ' 67' ' ' HIS . 9.9 t0 -62.31 -33.4 74.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -59.31 134.31 56.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.553 HG11 ' CE2' ' A' ' 58' ' ' TYR . 3.3 p -59.89 149.46 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.622 HG22 ' HD3' ' A' ' 73' ' ' PRO . 89.9 mt -106.08 116.01 48.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.19 85.4 18.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.622 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.85 140.24 41.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.558 HG11 ' HB3' ' A' ' 78' ' ' ARG . 96.2 t -109.66 137.58 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -104.84 162.89 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.83 34.98 91.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 37.19 54.6 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.558 ' HB3' HG11 ' A' ' 74' ' ' VAL . 2.2 tpt180 -85.17 137.76 32.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 90.9 mt -93.46 4.11 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.6 t -138.88 148.25 43.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -140.61 140.02 35.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -104.88 132.04 51.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 71.9 mt -131.79 126.13 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -126.09 -177.28 3.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 64.15 49.94 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 mt -119.05 171.27 8.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.22 154.53 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.7 mt -104.66 162.78 12.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.8 t70 47.93 45.14 18.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.43 HG23 ' HD2' ' A' ' 91' ' ' PRO . 99.9 m -143.06 133.18 12.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.6 0.714 . . . . 0.0 111.115 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 90' ' ' THR . 53.5 Cg_endo -69.79 101.15 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -103.01 138.91 39.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.426 ' CE2' ' OE1' ' A' ' 112' ' ' GLN . 15.5 m-85 -109.07 136.96 47.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 37' ' ' ILE . 60.9 m-85 -122.13 160.13 25.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -145.75 149.9 35.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.557 HD13 ' HB3' ' A' ' 41' ' ' TRP . 11.0 mt -129.35 142.63 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 34.5 tt0 -139.08 148.04 42.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -116.12 140.72 49.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.545 ' NH2' ' N ' ' A' ' 54' ' ' TYR . 0.9 OUTLIER -138.52 150.48 46.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.872 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 102' ' ' LYS . 35.7 p30 -120.17 174.84 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.7 t -41.19 -24.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.8 OUTLIER -79.96 -71.93 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -165.07 -166.07 23.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.44 167.52 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.479 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -107.89 -158.19 20.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -164.15 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.249 . . . . 0.0 112.381 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 20.7 mmt -117.2 139.67 50.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 109' ' ' GLU . 5.1 t -76.38 177.2 7.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.434 ' N ' ' OG ' ' A' ' 108' ' ' SER . 17.1 mt-10 -76.15 136.36 39.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.9 113.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.516 HG21 HG11 ' A' ' 25' ' ' VAL . 85.7 t -87.27 102.9 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.426 ' OE1' ' CE2' ' A' ' 93' ' ' TYR . 22.6 tt0 -77.67 120.95 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -134.99 118.86 17.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -71.7 125.93 28.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 18.6 p -67.47 151.46 97.14 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.715 . . . . 0.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.268 . . . . 0.0 112.37 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.52 151.13 41.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -78.85 44.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -39.1 135.85 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -67.49 -91.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 151.76 68.93 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.639 2.226 . . . . 0.0 112.355 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.1 p -79.82 171.82 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.4 t -73.75 106.54 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t 49.01 42.14 20.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.815 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 t -65.39 108.65 2.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.04 174.91 47.93 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 p -124.36 -46.95 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 m -108.7 177.05 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -177.34 91.81 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' GLY . 15.0 t 37.26 35.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.768 0.318 . . . . 0.0 111.12 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.63 154.82 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -83.39 43.72 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.31 -178.77 31.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.5 p -134.98 113.4 11.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 111.139 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.1 m -62.14 -51.57 67.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -40.26 130.07 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -107.86 164.67 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 mt -133.84 117.79 17.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 m -56.48 147.22 50.6 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.569 0.7 . . . . 0.0 111.185 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 108.2 2.02 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -88.51 15.76 7.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.2 t -122.04 136.27 26.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.694 0.759 . . . . 0.0 110.838 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 166.69 26.72 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.714 2.276 . . . . 0.0 112.365 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 164.74 33.35 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.27 . . . . 0.0 112.348 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -127.02 177.38 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 51.91 42.45 30.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.625 HG11 HG21 ' A' ' 111' ' ' VAL . 54.3 t -72.55 107.6 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 p -127.88 139.61 52.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.599 HG13 HG22 ' A' ' 39' ' ' VAL . 25.5 t -129.99 113.25 25.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.77 168.81 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 t -108.89 144.68 36.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.799 ' HE2' HG21 ' A' ' 36' ' ' THR . 0.3 OUTLIER -55.34 151.85 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 27.3 tt0 -87.26 81.33 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 133.41 -25.05 3.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.11 111.26 26.79 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.531 0.681 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.442 ' CB ' ' HG2' ' A' ' 116' ' ' PRO . 53.9 Cg_endo -69.76 -40.88 4.8 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.64 2.227 . . . . 0.0 112.381 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -60.2 -16.34 32.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.799 HG21 ' HE2' ' A' ' 30' ' ' LYS . 76.6 m -106.29 136.12 46.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.49 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 23.0 pt -142.18 144.3 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.425 HD12 ' N ' ' A' ' 38' ' ' ILE . 4.4 mp -107.63 140.95 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.599 HG22 HG13 ' A' ' 27' ' ' VAL . 84.8 t -125.23 105.17 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -99.56 121.64 41.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.554 ' CE3' ' O ' ' A' ' 79' ' ' LEU . 42.2 p90 -129.65 179.12 6.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -134.44 154.75 79.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.606 0.717 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 153.23 69.44 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.721 2.28 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 150.05 67.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.0 t -63.16 -37.27 86.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -89.9 65.94 6.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -57.45 -45.07 85.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.08 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 40.21 25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . 167.33 155.36 9.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 tttp -72.55 110.45 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.781 0.324 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.682 HD13 ' OD1' ' A' ' 100' ' ' ASN . 17.3 mm -66.15 110.34 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.0 p -75.07 -41.91 57.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.627 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -167.23 -154.04 8.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.63 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 2.3 m-85 -156.78 158.85 37.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.838 0.352 . . . . 0.0 110.925 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.8 mt -128.78 143.19 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 62.1 mt -117.22 135.67 56.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -123.91 130.83 53.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.707 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 13.0 p90 -147.71 157.53 43.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 t -167.65 167.73 13.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.6 p -84.6 32.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 62' ' ' VAL . 27.2 t0 -169.88 152.21 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.487 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 5.6 p -103.09 -7.4 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -100.25 -16.66 17.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.27 142.11 13.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.9 OUTLIER -60.24 131.71 51.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' GLU . 10.7 tp -37.21 -34.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.693 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.1 p-80 -66.15 -45.07 82.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.693 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 18.9 m-20 -56.21 -30.76 62.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.524 ' CZ3' ' HE2' ' A' ' 95' ' ' LYS . 22.3 m95 -62.11 136.06 57.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.707 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 11.8 p -68.85 151.25 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.441 ' C ' ' OE1' ' A' ' 72' ' ' GLU . 65.3 mt -108.92 113.09 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.534 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -107.51 85.46 2.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.89 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 121.41 8.1 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.359 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.5 t -95.16 125.28 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.1 m -78.07 164.63 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.53 -177.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -86.41 42.38 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -84.74 135.07 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.554 ' O ' ' CE3' ' A' ' 41' ' ' TRP . 4.7 mt -105.47 8.81 33.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -126.81 139.67 52.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -134.2 142.66 47.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -114.98 105.54 13.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.5 mt -100.17 132.46 45.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.408 ' HG2' HG23 ' A' ' 36' ' ' THR . 5.3 mt-30 -123.78 -175.28 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 58.71 31.46 21.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.8 mt -92.09 159.59 15.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.547 ' O ' HG21 ' A' ' 115' ' ' THR . 1.1 m -77.79 167.52 21.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.485 ' H ' HG22 ' A' ' 87' ' ' THR . 6.1 mt -121.12 168.21 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.6 t70 47.14 33.99 2.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.812 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 94.0 m -142.59 131.43 11.77 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 121.46 8.16 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.368 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -119.42 130.84 55.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -101.3 125.09 47.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.49 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 65.1 m-85 -109.73 153.09 24.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.524 ' HE2' ' CZ3' ' A' ' 69' ' ' TRP . 25.8 mtmt -137.54 139.31 40.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.422 HD13 ' HB3' ' A' ' 41' ' ' TRP . 12.9 mt -118.85 140.36 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -145.11 142.01 29.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -104.21 141.75 35.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.441 ' CB ' ' HG2' ' A' ' 104' ' ' MET . 19.0 ptt180 -144.91 148.63 34.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.682 ' OD1' HD13 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -122.71 -177.63 3.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.9 t -45.14 -42.04 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -60.26 -71.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -161.11 -152.16 6.51 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.441 ' HG2' ' CB ' ' A' ' 99' ' ' ARG . 33.1 mtm -112.04 159.63 18.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.29 -167.01 22.95 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.3 47.59 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.732 2.288 . . . . 0.0 112.311 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -77.25 154.2 33.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 109' ' ' GLU . 9.3 t -82.75 175.73 9.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.416 ' N ' ' OG ' ' A' ' 108' ' ' SER . 31.4 mm-40 -74.67 145.62 43.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.02 117.24 3.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.625 HG21 HG11 ' A' ' 25' ' ' VAL . 94.3 t -95.1 108.29 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -77.73 121.69 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -138.95 110.56 7.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -71.69 135.7 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.547 HG21 ' O ' ' A' ' 87' ' ' THR . 2.8 p -76.68 143.41 71.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.564 0.697 . . . . 0.0 111.114 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.442 ' HG2' ' CB ' ' A' ' 34' ' ' PRO . 53.6 Cg_endo -69.76 -163.66 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.411 ' HA ' ' CE ' ' A' ' 117' ' ' LYS . 5.1 mmpt? -136.89 163.42 30.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.16 39.26 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.1 p -71.76 -51.81 20.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 60.84 78.77 0.14 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -44.35 2.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.1 m -124.34 143.0 50.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.2 m -84.18 -50.84 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -129.97 95.82 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.832 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 m -67.18 133.82 50.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.1 105.85 0.37 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -168.0 168.28 12.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.843 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t 61.61 43.89 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.37 168.05 39.15 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.3 m -92.27 126.61 37.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 111.174 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.44 142.59 7.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.5 m80 65.15 43.34 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 55.04 -153.32 11.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -124.36 -56.82 1.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 111.144 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -96.97 108.42 21.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -61.55 130.42 45.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 4.1 mp0 -52.43 -178.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -143.75 110.04 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -52.24 153.86 4.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.686 0.755 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.474 ' HD3' ' ND2' ' A' ' 100' ' ' ASN . 53.3 Cg_endo -69.81 94.95 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.4 t -86.89 25.14 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.6 t -128.12 139.77 36.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.655 0.74 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 159.85 51.9 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.644 2.229 . . . . 0.0 112.384 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 171.53 14.23 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.401 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -125.59 -178.78 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 47.16 36.16 4.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.475 HG13 HD12 ' A' ' 96' ' ' ILE . 92.9 t -69.51 110.01 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.6 p -138.59 150.02 45.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.402 ' CG2' HG11 ' A' ' 111' ' ' VAL . 84.8 t -132.68 111.86 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 38' ' ' ILE . 17.4 m -104.96 -177.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 t -126.79 153.38 45.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -94.62 109.8 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -58.12 -39.29 78.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.33 -18.26 74.98 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.418 ' CE ' ' HB2' ' A' ' 35' ' ' LYS . 12.7 tptm -146.72 106.41 4.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.596 0.712 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -23.5 30.6 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HB2' ' CE ' ' A' ' 33' ' ' LYS . 62.7 mttm -87.35 3.28 47.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.1 m -127.47 153.6 46.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.538 HD11 ' CE2' ' A' ' 94' ' ' PHE . 8.5 pt -143.31 164.14 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.483 HD12 ' N ' ' A' ' 38' ' ' ILE . 4.6 mp -125.97 122.85 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.9 t -103.83 118.68 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.3 OUTLIER -107.08 146.7 30.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.546 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 28.7 p90 -163.23 -176.32 4.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -147.96 161.4 34.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.566 0.698 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.36 66.99 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.713 2.275 . . . . 0.0 112.345 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 158.3 57.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.395 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.9 t -69.78 -37.24 76.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.66 72.87 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -85.39 53.78 2.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -38.03 -28.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -138.5 147.5 19.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 tttm -53.4 138.45 33.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.442 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 24.0 mm -90.38 144.2 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.2 p -120.91 -30.1 4.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.8 -166.01 31.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.442 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 64.7 m-85 -148.34 163.69 36.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.686 HD11 ' HD3' ' A' ' 99' ' ' ARG . 28.2 mt -126.86 131.08 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 73.9 mt -109.42 140.12 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -126.29 123.5 38.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.537 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 1.8 p90 -139.08 150.3 45.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.6 t -170.65 164.0 8.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 78.9 p -87.65 45.86 1.32 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.486 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 2.7 m-20 -172.61 128.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.4 p -86.04 -36.55 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -90.28 25.21 2.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.486 ' HB2' ' HB3' ' A' ' 61' ' ' ASP . . . -94.89 132.36 39.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.477 ' HB2' ' CE1' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -47.66 131.68 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tp -43.81 -26.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.668 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.4 p-80 -65.56 -41.58 92.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.668 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 5.8 m-20 -64.94 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.453 ' CH2' ' HE3' ' A' ' 95' ' ' LYS . 16.2 m95 -62.86 143.01 58.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.537 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 5.2 p -76.34 153.03 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.405 HG22 ' HD3' ' A' ' 73' ' ' PRO . 78.7 mt -109.31 106.96 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -108.3 87.36 4.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD3' HG22 ' A' ' 71' ' ' ILE . 54.0 Cg_endo -69.81 140.63 42.97 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.7 t -105.62 119.41 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -76.46 169.45 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.88 -171.39 0.13 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -91.54 43.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -85.78 141.51 29.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 13.8 mt -112.51 8.48 19.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.4 t -132.26 136.98 47.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -125.58 147.17 49.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -117.39 105.12 11.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.5 mt -100.9 125.23 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -114.0 -175.07 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.422 ' CD ' ' N ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER 60.5 44.7 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.4 mt -111.47 140.41 46.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.515 ' CG2' ' HB ' ' A' ' 90' ' ' THR . 0.6 OUTLIER -61.76 175.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.476 ' N ' HG23 ' A' ' 87' ' ' THR . 14.4 mt -111.05 165.58 11.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 88' ' ' LEU . 28.2 t0 35.82 54.97 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.515 ' HB ' ' CG2' ' A' ' 87' ' ' THR . 19.1 m -141.31 129.44 12.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.582 0.706 . . . . 0.0 111.154 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 109.32 2.28 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.743 2.295 . . . . 0.0 112.343 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.428 ' HE1' HG22 ' A' ' 87' ' ' THR . 9.1 m-85 -108.17 144.09 36.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -120.01 116.29 25.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.962 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.538 ' CE2' HD11 ' A' ' 37' ' ' ILE . 9.8 m-85 -107.61 156.91 18.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.453 ' HE3' ' CH2' ' A' ' 69' ' ' TRP . 12.9 mttp -141.49 128.11 20.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.475 HD12 HG13 ' A' ' 25' ' ' VAL . 30.7 mt -105.31 146.04 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 19.7 tt0 -146.3 141.51 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -103.33 132.05 49.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.686 ' HD3' HD11 ' A' ' 55' ' ' ILE . 6.9 ptt180 -139.96 149.51 43.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.474 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 18.0 p30 -119.09 -177.6 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -54.77 -20.98 9.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.419 ' NZ ' ' HB2' ' A' ' 15' ' ' GLU . 17.9 mmtp -79.2 -72.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.75 -163.99 11.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.49 ' SD ' ' CD1' ' A' ' 55' ' ' ILE . 66.4 mtm -112.87 145.14 41.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.429 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -90.57 -170.7 43.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 165.27 31.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.375 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 28.4 mtt -98.46 141.62 31.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.3 p -76.62 168.64 19.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -57.54 149.02 22.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.38 114.2 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.402 HG11 ' CG2' ' A' ' 27' ' ' VAL . 75.6 t -83.17 109.28 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.142 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -88.56 117.12 27.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -140.2 122.58 16.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -78.81 144.79 34.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.3 p -79.12 152.17 76.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.581 0.705 . . . . 0.0 111.151 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -163.95 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.334 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -136.59 161.05 36.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.4 -59.59 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.3 m -46.31 136.44 7.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -141.59 137.58 8.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -13.64 35.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 88.2 p -139.47 178.11 7.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 m -131.54 -49.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -150.44 108.36 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.368 . . . . 0.0 110.82 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -162.02 172.24 16.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.27 150.5 21.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 m -142.25 149.32 39.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 m -112.89 162.4 15.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.74 120.59 0.84 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.8 p -123.82 144.07 49.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 111.134 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 10' ' ' HIS . . . -68.22 -45.8 72.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 9' ' ' ALA . 32.2 p-80 44.24 42.11 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.19 -114.76 0.61 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.0 m -79.16 85.8 5.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 m -156.7 109.89 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -104.89 137.37 42.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.79 ' C ' HD22 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -72.42 167.07 21.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.79 HD22 ' C ' ' A' ' 15' ' ' GLU . 2.6 mm? -124.94 111.37 15.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.4 m -53.68 152.71 9.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 111.118 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 96.5 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -81.41 14.32 2.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 p -122.48 139.44 30.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 164.58 34.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.266 . . . . 0.0 112.341 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -172.2 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.625 2.217 . . . . 0.0 112.364 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -148.45 168.82 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 60.46 39.38 18.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.415 HG22 HD12 ' A' ' 96' ' ' ILE . 55.7 t -74.8 109.92 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.6 p -130.74 147.72 52.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.07 107.3 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.443 HG23 ' HB ' ' A' ' 38' ' ' ILE . 13.0 m -109.19 163.85 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.6 p -90.3 171.4 9.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HB2' HG22 ' A' ' 36' ' ' THR . 13.4 tptm -97.78 145.48 26.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 11.7 tp10 -80.81 107.74 13.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 117.4 -42.1 1.93 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HE2' ' CD ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -125.93 125.08 24.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 110.9 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -52.12 0.35 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.746 2.297 . . . . 0.0 112.325 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.476 ' CD ' ' HE2' ' A' ' 33' ' ' LYS . 51.4 mttt -46.73 -38.5 10.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.526 HG22 ' HB2' ' A' ' 30' ' ' LYS . 74.9 m -78.7 128.88 34.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.408 HD11 ' CE2' ' A' ' 94' ' ' PHE . 10.8 pt -137.13 147.73 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.443 ' HB ' HG23 ' A' ' 28' ' ' VAL . 4.9 mp -105.89 121.66 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.2 t -102.25 102.97 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.87 153.49 17.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.742 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 19.1 p90 -169.34 179.95 3.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -143.65 154.52 59.62 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.613 0.72 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 160.24 50.43 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.273 . . . . 0.0 112.34 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 141.96 46.66 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.716 2.278 . . . . 0.0 112.328 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -57.1 -34.35 68.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -87.47 72.43 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -80.2 60.02 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ALA . 92.4 m-20 -35.31 -33.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -128.58 -126.97 2.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -138.81 120.16 14.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.32 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.466 HG21 ' CE2' ' A' ' 54' ' ' TYR . 11.1 mm -78.15 119.42 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.03 2.63 5.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.6 137.68 5.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.466 ' CE2' HG21 ' A' ' 51' ' ' ILE . 26.0 m-85 -123.54 157.06 34.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.925 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.501 ' CD1' ' SD ' ' A' ' 104' ' ' MET . 11.2 mt -136.12 133.01 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.742 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 93.2 mt -115.86 126.19 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -111.83 124.52 52.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.546 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 2.2 p90 -138.18 149.8 46.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -170.12 174.24 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.8 p -96.57 36.65 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.471 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 2.9 m-20 -158.85 127.37 5.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.426 ' HB ' ' CE2' ' A' ' 93' ' ' TYR . 2.8 p -89.18 -31.56 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -95.92 27.79 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.471 ' HB2' ' HB3' ' A' ' 61' ' ' ASP . . . -101.92 142.53 33.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.557 ' OE1' ' CD2' ' A' ' 67' ' ' HIS . 47.8 mt-10 -61.66 137.94 58.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.4 tp -42.01 -26.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.557 ' CD2' ' OE1' ' A' ' 65' ' ' GLU . 1.2 m-70 -56.71 -46.61 81.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -65.96 -33.7 76.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.806 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -61.69 138.83 58.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.546 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 8.1 p -76.61 153.56 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.418 HG22 ' HD3' ' A' ' 73' ' ' PRO . 55.4 mt -107.62 110.4 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -109.87 85.4 4.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.665 0.745 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.418 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.6 Cg_endo -69.81 125.79 12.53 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 38.3 t -90.52 148.04 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.0 m -107.31 171.18 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.66 38.16 14.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.523 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.1 p30 39.66 36.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.445 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 30.4 ttt180 -69.32 136.66 52.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.538 ' O ' ' CE3' ' A' ' 41' ' ' TRP . 40.8 mt -92.17 -3.18 55.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.7 t -127.53 139.53 52.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -132.92 133.7 43.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.43 ' N ' ' OE1' ' A' ' 82' ' ' GLN . 7.4 mp0 -97.12 119.37 35.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.7 mt -114.73 121.59 67.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -118.06 -175.66 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 59.79 33.4 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 86' ' ' LEU . 17.6 mt -93.96 164.36 13.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.55 ' O ' HG21 ' A' ' 115' ' ' THR . 12.6 m -88.39 140.87 29.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.471 HD21 ' HG3' ' A' ' 35' ' ' LYS . 10.6 mt -90.2 163.57 14.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 28.2 t70 49.15 44.22 22.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.9 m -148.72 125.74 5.49 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.562 0.696 . . . . 0.0 111.141 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 108.91 2.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -108.06 124.85 50.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.426 ' CE2' ' HB ' ' A' ' 62' ' ' VAL . 1.9 m-85 -87.6 126.23 34.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.408 ' CE2' HD11 ' A' ' 37' ' ' ILE . 77.0 m-85 -112.48 146.37 38.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.435 ' HZ1' ' HB2' ' A' ' 110' ' ' ALA . 24.1 mttm -135.06 151.32 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.532 HD13 ' HB3' ' A' ' 41' ' ' TRP . 19.7 mt -132.32 145.52 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -143.44 154.58 43.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.86 129.38 56.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -133.84 143.62 48.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -124.84 177.42 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.8 m -47.51 -21.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 3.6 mptt -81.0 -62.57 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -172.88 -151.29 7.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.501 ' SD ' ' CD1' ' A' ' 55' ' ' ILE . 5.5 mtm -123.19 158.55 30.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.84 -162.63 24.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 151.58 69.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -75.11 150.38 38.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.0 p -87.03 173.73 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -70.3 143.13 52.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.435 ' HB2' ' HZ1' ' A' ' 95' ' ' LYS . . . -68.84 120.81 15.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.5 t -96.27 107.35 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -78.15 100.72 6.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -110.67 115.55 29.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -72.29 120.07 17.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.55 HG21 ' O ' ' A' ' 87' ' ' THR . 19.4 p -60.07 146.44 82.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 111.103 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -163.62 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.295 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -140.75 161.82 36.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.77 40.85 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 96.5 p -137.81 129.6 28.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -168.69 -94.75 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 170.81 15.78 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 t -89.98 131.47 35.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.82 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.6 m -86.47 164.76 16.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.449 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -83.26 147.84 27.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 0.0 110.821 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -87.0 144.43 26.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.808 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.82 86.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 p -75.11 -53.46 8.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 t -87.34 84.13 7.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.29 -119.28 0.75 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -161.89 148.68 13.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.779 0.323 . . . . 0.0 111.128 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.2 145.31 31.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -68.65 156.7 37.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.98 58.11 1.83 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.443 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.5 p -49.58 126.33 13.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.3 p -103.45 -48.28 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -98.91 129.84 45.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.76 167.05 13.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 mp -121.91 109.6 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 m -41.24 154.2 0.23 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 0.0 111.124 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.444 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 53.4 Cg_endo -69.77 100.03 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.3 t -84.35 26.36 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.8 t -131.67 136.53 28.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 157.49 60.14 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.302 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HG3' HG22 ' A' ' 96' ' ' ILE . 53.4 Cg_endo -69.83 156.18 63.81 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.649 2.233 . . . . 0.0 112.35 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -116.98 173.97 6.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.2 t0 60.7 33.51 20.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.479 HG13 HD12 ' A' ' 96' ' ' ILE . 96.9 t -69.32 116.02 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -142.81 139.77 31.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.535 HG22 HG22 ' A' ' 39' ' ' VAL . 94.2 t -127.8 111.04 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.7 m -109.49 179.58 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.0 p -119.59 147.33 44.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HB2' HD11 ' A' ' 38' ' ' ILE . 26.6 tttm -91.57 133.95 35.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 32' ' ' GLY . 52.5 tt0 -73.47 -66.64 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' GLU . . . -37.51 -35.51 0.2 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.5 ' CE ' ' HB2' ' A' ' 35' ' ' LYS . 1.3 tmtm? -141.91 118.91 7.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.594 0.711 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -39.29 6.53 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.317 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.5 ' HB2' ' CE ' ' A' ' 33' ' ' LYS . 40.1 mttp -68.0 -2.35 7.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.0 m -114.2 138.53 50.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 94' ' ' PHE . 7.5 pt -135.41 159.25 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.727 HD12 ' N ' ' A' ' 38' ' ' ILE . 2.1 mp -121.5 137.04 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.535 HG22 HG22 ' A' ' 27' ' ' VAL . 91.1 t -127.35 116.14 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -103.07 158.16 16.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.602 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 27.1 p90 -170.29 178.2 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -138.72 159.38 67.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.9 66.31 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 139.21 39.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.715 2.277 . . . . 0.0 112.377 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.2 t -60.46 -39.3 87.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -87.51 77.2 8.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -106.35 68.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 47' ' ' ALA . 9.3 m120 -35.2 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -118.22 -152.16 9.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.437 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -114.11 137.86 51.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.755 0.312 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.9 mm -85.71 142.22 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.0 p -129.4 -31.2 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.2 179.2 38.53 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -140.47 167.93 21.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.351 . . . . 0.0 110.925 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.495 ' CG2' ' CZ ' ' A' ' 57' ' ' TYR . 61.7 mt -138.41 124.72 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.098 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.602 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 97.9 mt -104.91 140.32 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.495 ' CZ ' ' CG2' ' A' ' 55' ' ' ILE . 11.0 m-85 -125.54 129.81 50.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.537 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 3.0 p90 -144.1 141.07 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.0 t -157.95 146.54 19.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.825 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.9 p -53.68 -31.92 49.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -98.39 144.06 28.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.93 -16.58 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.071 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.53 -16.65 22.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.99 151.55 6.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' HIS . 31.3 mt-10 -74.41 136.92 42.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 65' ' ' GLU . 7.6 tp -36.12 -32.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' GLU . 2.3 m170 -54.68 -49.04 71.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.97 -36.21 83.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.503 ' CZ3' ' HE2' ' A' ' 95' ' ' LYS . 30.9 m95 -55.55 132.5 48.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.537 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 8.4 p -67.17 155.67 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.447 HG22 ' HD3' ' A' ' 73' ' ' PRO . 91.5 mt -110.55 109.58 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -108.07 86.18 3.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.617 0.722 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.447 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.7 Cg_endo -69.79 133.24 25.04 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.0 t -105.75 106.28 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.5 m -55.47 170.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.92 -165.5 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' ARG . 13.8 t30 -91.3 8.22 37.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' ASN . 8.2 ttm-85 -37.17 150.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.428 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 38.0 mt -120.19 6.23 10.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 t -135.57 150.14 49.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -137.94 146.76 43.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -117.54 96.47 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.408 HD13 ' CD2' ' A' ' 58' ' ' TYR . 64.3 mt -88.35 118.22 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -108.44 -177.93 3.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 59.78 41.54 18.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.1 mt -102.1 163.37 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.542 ' O ' HG21 ' A' ' 115' ' ' THR . 24.0 m -83.12 158.06 22.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.462 ' N ' HG22 ' A' ' 87' ' ' THR . 29.3 mt -104.76 161.05 14.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.432 ' HB2' ' NZ ' ' A' ' 117' ' ' LYS . 33.2 t70 43.4 46.0 5.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.6 m -142.6 130.74 11.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.571 0.7 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 107.18 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.724 2.283 . . . . 0.0 112.35 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -107.49 140.22 40.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -107.97 122.4 46.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.953 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.543 ' CZ ' ' CD1' ' A' ' 37' ' ' ILE . 82.3 m-85 -109.48 154.6 22.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.503 ' HE2' ' CZ3' ' A' ' 69' ' ' TRP . 26.1 mtmt -143.63 139.02 29.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.479 HD12 HG13 ' A' ' 25' ' ' VAL . 19.6 mt -111.55 146.34 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.436 ' CD ' ' HB3' ' A' ' 104' ' ' MET . 36.9 tt0 -153.07 140.58 19.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.57 156.7 17.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -153.66 148.94 27.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.6 p30 -128.04 -179.12 4.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.2 m -44.95 -23.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.89 -75.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -162.18 -158.95 9.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.436 ' HB3' ' CD ' ' A' ' 97' ' ' GLN . 19.4 mtm -96.11 173.48 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -117.41 -149.72 9.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.444 ' CD ' ' O ' ' A' ' 18' ' ' PRO . 53.4 Cg_endo -69.76 172.8 11.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 10.4 mtt -119.85 131.74 55.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 98.7 p -71.71 167.54 19.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.813 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -67.7 140.59 56.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.75 108.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.8 t -84.55 106.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -81.0 117.11 21.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -129.36 133.54 47.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -85.74 138.3 32.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.542 HG21 ' O ' ' A' ' 87' ' ' THR . 9.6 p -81.03 148.65 64.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 111.118 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -163.74 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 89' ' ' ASP . 5.8 mmpt? -137.5 152.15 49.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.06 -41.36 77.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.7 p -98.71 149.53 22.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.424 ' HA2' ' HD2' ' A' ' 121' ' ' PRO . . . 88.44 101.21 0.96 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.456 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.424 ' HD2' ' HA2' ' A' ' 120' ' ' GLY . 53.6 Cg_endo -69.74 110.56 2.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.632 2.222 . . . . 0.0 112.35 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 t -69.58 158.49 35.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.5 t -116.45 142.92 46.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.453 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 m -140.17 167.98 20.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 110.877 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 p -145.74 145.8 30.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.43 -59.54 2.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.538 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 t 51.61 45.16 28.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.845 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 m -108.86 -49.56 3.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.7 164.61 10.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.3 p -55.24 144.66 23.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.137 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.84 83.67 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -158.56 160.92 37.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.54 -84.64 0.34 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.9 m -97.0 93.18 6.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 111.182 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.4 m -105.14 141.08 37.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -102.71 97.0 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -123.08 155.12 37.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt -122.81 112.08 17.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.4 m -47.31 153.6 0.92 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.618 0.723 . . . . 0.0 111.17 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 104.49 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.5 t -85.79 24.88 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 t -132.37 138.27 31.83 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.728 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 167.45 24.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.719 2.279 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 179.41 3.74 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.296 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.63 -179.94 6.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.7 t0 48.26 43.53 19.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.459 HG22 HD12 ' A' ' 96' ' ' ILE . 49.7 t -73.41 117.98 18.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 p -139.15 141.84 38.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.4 t -130.89 113.96 25.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.0 m -122.8 165.58 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.4 p -93.44 158.52 15.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.519 ' HB2' HD11 ' A' ' 38' ' ' ILE . 22.3 tttm -90.08 138.96 31.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -75.53 114.25 13.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.73 -45.53 1.28 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.83 117.46 28.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.596 0.712 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -51.82 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -48.72 -23.0 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.413 HG21 ' HD3' ' A' ' 30' ' ' LYS . 89.1 m -93.57 141.06 28.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.089 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.498 ' C ' HD12 ' A' ' 38' ' ' ILE . 7.2 pt -144.05 157.6 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.641 HD12 ' N ' ' A' ' 38' ' ' ILE . 3.3 mp -118.9 135.18 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 82.6 t -124.09 108.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -99.41 157.54 16.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.509 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 36.3 p90 -161.17 179.66 8.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -139.13 152.73 70.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 150.94 68.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 143.91 52.54 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.353 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.3 m -62.84 -23.68 67.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -102.43 73.82 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.31 64.47 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -38.61 -35.75 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -113.83 -173.62 18.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -93.71 137.81 32.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.716 0.294 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.419 HG21 ' OH ' ' A' ' 54' ' ' TYR . 10.1 mm -79.31 138.81 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.172 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.2 p -123.01 -36.7 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.63 -176.9 36.02 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.419 ' OH ' HG21 ' A' ' 51' ' ' ILE . 82.7 m-85 -140.22 169.64 17.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 0.0 110.861 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.582 HD11 ' HD3' ' A' ' 99' ' ' ARG . 52.5 mt -138.57 136.15 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.135 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.509 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 95.0 mt -117.53 132.5 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 3.0 m-85 -118.69 121.58 40.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.707 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 5.7 p90 -135.53 137.6 42.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.1 t -156.03 151.94 27.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.3 p -62.15 -29.12 70.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -93.34 151.26 19.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.3 p -109.35 -20.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -99.22 -15.09 19.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.24 142.52 42.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -61.26 136.13 57.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.8 tp -42.04 -27.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -54.49 -46.61 73.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.24 -34.36 76.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -55.94 126.84 27.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.707 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 8.7 p -60.47 153.06 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 53.3 mt -110.04 112.11 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -107.19 84.54 1.72 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.58 0.705 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 133.4 25.38 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.313 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.529 HG11 ' HB3' ' A' ' 78' ' ' ARG . 22.5 t -114.36 150.33 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.0 m -122.68 -176.31 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 78' ' ' ARG . . . 56.31 41.6 87.5 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 76' ' ' GLY . 25.2 p30 36.95 31.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.529 ' HB3' HG11 ' A' ' 74' ' ' VAL . 3.7 tpt85 -65.07 134.93 54.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.466 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 64.1 mt -100.76 2.67 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 t -138.41 146.82 42.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -132.13 136.81 47.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -104.58 101.71 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.8 mt -96.26 143.45 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.11 -178.77 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 62.51 47.83 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.8 mt -112.99 165.72 12.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.727 ' O ' HG21 ' A' ' 115' ' ' THR . 1.3 m -85.56 150.57 24.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mt -99.41 172.79 7.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.1 t0 44.82 32.2 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.5 m -141.02 123.78 9.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 111.187 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.78 3.49 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.331 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -105.59 139.98 39.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -103.68 125.4 50.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -111.84 170.35 8.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -152.79 140.6 20.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' A' ' 41' ' ' TRP . 16.9 mt -118.56 150.2 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -159.62 149.41 18.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -110.48 146.47 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.582 ' HD3' HD11 ' A' ' 55' ' ' ILE . 6.8 ptt180 -150.94 151.87 32.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 101' ' ' SER . 34.0 p30 -124.6 172.96 8.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 100' ' ' ASN . 50.2 m -36.18 -36.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -65.64 -74.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -163.08 -165.16 19.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.463 ' HA ' ' CB ' ' A' ' 99' ' ' ARG . 0.9 OUTLIER -100.58 160.34 14.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.45 -156.4 21.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 152.01 69.1 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 18.3 mtt -91.2 154.61 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 109' ' ' GLU . 6.3 t -93.75 177.5 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.439 ' N ' ' OG ' ' A' ' 108' ' ' SER . 21.6 mt-10 -71.97 153.97 41.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.75 116.27 10.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.427 HG21 HG11 ' A' ' 25' ' ' VAL . 90.1 t -82.46 111.68 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.26 115.06 23.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -137.16 119.84 16.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.1 ttp85 -75.08 138.37 42.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.727 HG21 ' O ' ' A' ' 87' ' ' THR . 7.8 p -76.72 147.04 77.44 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.614 0.721 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -163.67 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.656 2.237 . . . . 0.0 112.322 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -139.55 162.93 33.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.2 44.3 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.6 t -111.35 105.22 13.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.82 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 154.95 164.57 13.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -179.27 2.76 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.729 2.286 . . . . 0.0 112.328 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.4 p -82.13 -51.99 7.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.7 p -153.74 119.89 5.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -162.87 154.03 17.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 m -157.42 171.41 20.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.46 92.17 0.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 m -40.72 116.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -42.07 123.95 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.13 125.63 8.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.4 m -71.95 -49.31 38.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 111.183 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.18 172.73 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -133.79 132.06 40.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.11 149.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.2 m -118.58 140.25 50.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 111.179 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 m -92.35 99.2 12.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.48 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 4.6 p90 -119.11 165.13 14.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -147.84 159.92 43.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 mt -127.07 115.35 19.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 m -52.26 151.56 7.01 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.654 0.74 . . . . 0.0 111.131 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 99.95 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.391 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 t -81.67 16.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 p -128.74 141.65 42.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.679 0.752 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.01 25.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -170.3 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.675 2.25 . . . . 0.0 112.308 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -143.8 172.78 12.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 53.91 42.22 31.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.456 HG11 HG21 ' A' ' 111' ' ' VAL . 53.4 t -75.39 113.7 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 p -130.23 142.62 50.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.2 t -131.0 107.76 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.27 172.63 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 m -113.47 141.89 46.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.637 ' HD3' HD11 ' A' ' 38' ' ' ILE . 2.1 tppt? -75.67 152.29 37.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -84.48 -58.44 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.26 -31.49 6.36 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.16 132.79 12.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -39.24 6.67 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.665 2.243 . . . . 0.0 112.309 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -70.2 -36.21 74.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.486 ' CG2' ' HE2' ' A' ' 30' ' ' LYS . 82.2 m -66.24 122.77 18.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 pt -130.39 156.44 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.637 HD11 ' HD3' ' A' ' 30' ' ' LYS . 4.1 mp -117.75 137.01 53.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.6 t -122.19 108.18 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -103.92 160.69 14.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.536 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 36.1 p90 -169.43 179.31 3.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -135.51 154.72 78.55 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.594 0.712 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 145.88 58.49 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.274 . . . . 0.0 112.351 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 161.58 45.39 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.669 2.246 . . . . 0.0 112.3 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.3 p -74.52 -37.77 62.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.75 47.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -40.22 -38.47 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 39.44 25.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . 160.49 173.05 28.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -86.16 121.48 28.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.812 HG21 ' OH ' ' A' ' 54' ' ' TYR . 29.9 mm -67.87 130.2 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.1 p -106.4 -42.42 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.429 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -163.43 -173.21 31.87 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.812 ' OH ' HG21 ' A' ' 51' ' ' ILE . 10.8 m-85 -143.04 158.29 43.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.898 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.474 HD11 ' NH1' ' A' ' 99' ' ' ARG . 16.5 mt -131.87 141.76 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.48 HD11 ' CH2' ' A' ' 41' ' ' TRP . 34.2 mt -118.3 135.49 58.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.443 ' CE1' HG22 ' A' ' 55' ' ' ILE . 5.6 m-85 -123.73 129.1 50.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.695 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 8.2 p90 -140.24 165.9 26.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -172.68 171.86 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.4 p -89.11 9.42 25.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.159 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -149.25 138.24 21.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.5 p -91.93 -18.1 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -97.55 32.96 2.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.4 149.6 26.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 68' ' ' ASP . 12.9 mp0 -62.06 130.04 43.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 65' ' ' GLU . 10.0 tp -34.27 -37.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.537 ' CG ' ' N ' ' A' ' 68' ' ' ASP . 1.4 p80 -60.08 -47.76 84.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.537 ' N ' ' CG ' ' A' ' 67' ' ' HIS . 10.6 t0 -51.99 -34.94 44.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.527 ' CZ3' ' HD2' ' A' ' 95' ' ' LYS . 38.8 m95 -61.29 146.77 46.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.807 HG13 ' OE1' ' A' ' 72' ' ' GLU . 10.1 p -81.22 150.87 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 75.9 mt -104.01 114.51 43.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.807 ' OE1' HG13 ' A' ' 70' ' ' VAL . 2.5 mp0 -112.85 87.08 9.63 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.637 0.732 . . . . 0.0 110.809 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 134.0 26.84 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.634 2.222 . . . . 0.0 112.329 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 26.9 t -109.91 97.6 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.4 m -53.98 155.2 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.5 165.03 0.2 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.53 73.2 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.817 0.341 . . . . 0.0 110.926 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.467 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 3.6 tpt180 -108.36 138.15 45.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.536 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 6.6 mt -107.29 1.55 23.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.5 t -128.28 149.43 50.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -139.41 148.28 42.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -126.34 107.65 10.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 74.2 mt -103.97 140.42 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.421 ' HG2' HG23 ' A' ' 36' ' ' THR . 41.3 mt-30 -128.81 179.36 5.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 62.87 32.91 15.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.8 mt -91.02 176.68 6.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.457 ' O ' HG21 ' A' ' 115' ' ' THR . 0.6 OUTLIER -96.38 166.68 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.426 ' H ' HG22 ' A' ' 87' ' ' THR . 3.4 mt -117.94 171.04 8.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.1 t70 44.97 32.98 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 95.0 m -138.32 127.58 14.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.715 . . . . 0.0 111.136 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 102.8 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.712 2.274 . . . . 0.0 112.328 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -102.05 127.99 48.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -99.2 135.23 40.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -122.95 146.91 47.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.527 ' HD2' ' CZ3' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -136.48 128.48 29.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.506 HD13 ' HB3' ' A' ' 41' ' ' TRP . 17.8 mt -97.44 153.88 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.431 ' N ' HG22 ' A' ' 96' ' ' ILE . 30.0 tt0 -152.11 137.32 17.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.51 150.32 22.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.474 ' NH1' HD11 ' A' ' 55' ' ' ILE . 12.4 ttp180 -146.04 138.79 25.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -118.86 -177.88 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.2 m -43.15 -32.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -74.56 -70.82 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -167.98 -153.53 8.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.26 160.73 15.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -108.71 -160.78 19.99 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.74 45.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -74.55 144.21 44.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.0 p -66.63 174.11 3.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.67 150.81 46.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.68 107.3 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.456 HG21 HG11 ' A' ' 25' ' ' VAL . 91.3 t -83.62 101.06 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -76.74 113.59 14.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -132.95 115.56 15.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -73.65 135.69 43.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.457 HG21 ' O ' ' A' ' 87' ' ' THR . 3.1 p -80.23 146.6 62.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.601 0.715 . . . . 0.0 111.141 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -164.04 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.357 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -138.13 159.25 42.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.02 -56.05 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 m -68.97 127.58 33.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 170.45 -166.52 39.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 94.8 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.369 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.4 t -120.19 88.28 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.8 t -133.05 124.64 28.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.958 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p 42.55 40.86 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 p -159.28 154.75 25.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.77 51.81 3.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -77.82 152.44 33.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 0.0 110.83 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 m -49.91 101.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.73 -95.62 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.7 p -73.55 110.19 7.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.771 0.319 . . . . 0.0 111.156 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.82 -179.25 5.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -91.55 55.47 2.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 132.16 173.62 13.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.1 m -72.42 -56.55 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 0.0 111.079 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -96.9 127.89 43.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -131.54 133.34 44.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.461 ' HB2' ' CE ' ' A' ' 102' ' ' LYS . 16.2 mt-10 -121.8 165.71 15.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.2 mt -146.72 112.26 5.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.8 m -51.08 148.47 7.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 102.06 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.709 2.272 . . . . 0.0 112.342 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.4 t -84.27 21.08 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.2 p -134.4 143.34 46.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.688 0.756 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 163.55 37.88 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.616 2.211 . . . . 0.0 112.385 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -177.38 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.68 2.254 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -142.6 178.72 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 t70 50.55 43.42 27.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.662 HG11 HG21 ' A' ' 111' ' ' VAL . 72.7 t -76.7 128.9 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 p -150.06 145.14 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.29 105.66 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 38' ' ' ILE . 31.4 m -106.34 167.2 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 p -110.26 161.33 15.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -98.13 135.74 39.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.19 -62.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -41.1 -39.21 2.01 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -138.71 130.44 15.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.543 0.687 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -51.69 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -54.43 -35.17 62.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.2 m -73.37 138.18 45.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.581 HD11 ' CE2' ' A' ' 94' ' ' PHE . 11.7 pt -139.11 159.02 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.52 ' O ' HG22 ' A' ' 28' ' ' VAL . 5.1 mp -126.03 118.2 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.43 HG12 ' HE3' ' A' ' 41' ' ' TRP . 87.5 t -95.52 112.39 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -103.49 124.66 49.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.576 ' CH2' HD11 ' A' ' 56' ' ' ILE . 26.6 p90 -142.18 -175.34 4.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -145.33 161.35 42.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 152.42 69.33 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 138.1 36.95 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.716 2.278 . . . . 0.0 112.321 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -47.75 -34.45 8.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -85.47 86.31 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.82 67.22 1.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -75.89 49.39 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 155.59 176.72 28.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.78 118.45 29.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.527 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 29.0 mm -67.06 125.57 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.4 p -94.43 -30.89 14.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.578 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -178.04 -167.95 36.79 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.583 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 0.1 OUTLIER -149.17 150.43 32.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 0.0 110.917 -179.839 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.5 mt -123.05 142.03 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.576 HD11 ' CH2' ' A' ' 41' ' ' TRP . 35.2 mt -121.58 137.28 55.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -121.55 129.75 53.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.514 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 3.1 p90 -143.76 151.05 39.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -174.27 161.94 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.0 p -82.64 46.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.434 ' CB ' ' HB2' ' A' ' 64' ' ' ALA . 2.5 m-20 -165.93 137.83 3.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.39 -23.05 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -98.37 -13.17 20.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.435 ' HB1' ' OD2' ' A' ' 68' ' ' ASP . . . -53.35 131.9 38.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.9 OUTLIER -46.31 134.94 8.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 67' ' ' HIS . 8.2 tp -41.5 -40.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.453 ' ND1' ' N ' ' A' ' 68' ' ' ASP . 0.3 OUTLIER -62.54 -37.76 87.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.453 ' N ' ' ND1' ' A' ' 67' ' ' HIS . 34.2 t0 -59.27 -28.2 66.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 61' ' ' ASP . 11.8 m95 -70.76 131.8 44.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.514 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 3.8 p -58.01 149.83 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.081 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.596 HG22 ' HD3' ' A' ' 73' ' ' PRO . 88.0 mt -105.85 108.09 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -107.18 84.3 1.64 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.643 0.735 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.596 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.0 Cg_endo -69.77 135.45 30.46 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.304 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.502 HG11 ' HB3' ' A' ' 78' ' ' ARG . 58.4 t -106.56 113.49 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.0 m -70.98 155.93 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.94 176.31 0.76 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.429 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -81.04 77.83 7.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.781 0.324 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.502 ' HB3' HG11 ' A' ' 74' ' ' VAL . 5.0 tpt180 -112.94 148.8 34.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.534 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 89.6 mt -117.55 4.55 12.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.44 146.52 44.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -134.86 154.78 51.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -120.86 114.05 21.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 45.5 mt -111.6 143.81 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -134.54 -174.57 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 63.89 34.73 11.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.2 mt -107.65 140.85 40.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.518 ' CG2' ' HB ' ' A' ' 90' ' ' THR . 0.6 OUTLIER -65.09 169.98 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.165 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 89' ' ' ASP . 21.5 mt -104.7 171.56 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 88' ' ' LEU . 33.8 t70 32.49 54.26 0.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.518 ' HB ' ' CG2' ' A' ' 87' ' ' THR . 3.3 m -140.8 132.66 14.05 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.584 0.706 . . . . 0.0 111.13 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 112.16 3.01 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.492 ' HE1' HG22 ' A' ' 87' ' ' THR . 10.9 m-85 -116.93 141.71 47.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -113.19 125.48 54.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.581 ' CE2' HD11 ' A' ' 37' ' ' ILE . 67.7 m-85 -110.67 149.07 30.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -134.98 136.3 42.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.456 HD12 HG22 ' A' ' 25' ' ' VAL . 21.6 mt -116.76 154.68 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.447 ' N ' HG22 ' A' ' 96' ' ' ILE . 25.3 tt0 -161.03 142.62 11.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -101.57 130.92 47.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.4 ptt-85 -130.71 140.86 50.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 0.3 OUTLIER -118.79 177.76 4.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.1 t -45.69 -37.17 5.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.461 ' CE ' ' HB2' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -62.93 -72.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.16 -147.42 4.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.7 mtm -117.4 159.35 22.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.789 0.328 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -104.69 -167.61 24.42 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 149.5 67.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.375 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 10.7 mmt -82.06 136.81 35.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.2 p -72.03 173.32 8.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -74.22 132.97 42.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -43.06 140.29 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.662 HG21 HG11 ' A' ' 25' ' ' VAL . 97.4 t -114.85 102.33 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -76.28 121.74 23.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -141.12 116.78 10.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -75.22 126.61 31.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.419 HG21 ' O ' ' A' ' 87' ' ' THR . 1.3 p -59.9 151.56 63.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.574 0.702 . . . . 0.0 111.119 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -163.82 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.747 2.298 . . . . 0.0 112.351 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.535 ' HA ' ' HZ3' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -136.31 155.6 49.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.18 51.63 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.7 m -137.46 114.3 10.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -135.88 64.57 0.58 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 177.76 5.28 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.654 2.236 . . . . 0.0 112.361 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.0 m -46.66 139.7 5.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.3 t -95.26 -61.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.448 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 p -166.42 171.66 11.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.886 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 m -52.05 163.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.55 108.21 0.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 m -107.5 116.99 32.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -155.0 120.93 5.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.91 137.98 4.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.3 p -106.64 107.34 18.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.072 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 10' ' ' HIS . . . -144.38 128.97 18.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.076 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' ALA . 53.2 p-80 -35.65 -39.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.797 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.65 -178.4 42.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.568 ' HB ' ' CE1' ' A' ' 14' ' ' PHE . 46.8 p -91.36 109.07 20.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 111.139 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.7 p -82.76 7.31 15.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 12' ' ' THR . 3.4 p90 -105.88 161.68 14.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -119.44 163.64 16.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt -129.52 110.36 11.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.459 HG12 ' H ' ' A' ' 103' ' ' GLY . 16.5 m -45.55 152.26 0.7 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 111.14 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.413 ' HD3' ' ND2' ' A' ' 100' ' ' ASN . 53.7 Cg_endo -69.75 108.54 2.1 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 p -89.03 13.88 11.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -126.34 138.5 32.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.844 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 169.16 19.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.353 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -177.54 1.93 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -146.92 171.91 14.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 46.1 53.97 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.5 t -85.53 112.37 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -126.4 148.68 49.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.3 t -132.99 117.69 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.4 m -120.67 174.56 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.1 t -120.08 146.29 46.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -57.99 154.8 11.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -88.61 -6.94 57.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.19 8.97 4.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 18.8 tptm -154.03 105.02 2.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 53.8 Cg_endo -69.74 -41.37 4.36 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.274 . . . . 0.0 112.348 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -66.94 -8.21 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 83' ' ' ILE . 36.3 m -113.77 138.29 50.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.1 pt -136.23 156.46 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 mp -118.87 118.66 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.5 t -98.99 105.22 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -97.68 125.78 42.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.631 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 40.3 p90 -135.13 -177.32 4.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -144.94 142.51 18.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 0.0 110.951 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.443 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 53.7 Cg_endo -69.73 163.16 39.27 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 157.24 60.92 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.291 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -81.27 14.82 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 47' ' ' ALA . 21.9 mt-10 -110.38 -52.33 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 33.97 45.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' ALA . 74.6 m-20 -36.29 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -132.71 164.13 24.06 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -62.88 115.36 4.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.902 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 13.7 mm -70.36 116.08 10.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.7 p -81.12 -26.29 36.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.434 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . 172.03 -164.78 37.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.902 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 8.0 m-85 -148.11 153.25 38.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.842 0.353 . . . . 0.0 110.938 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.4 mt -119.57 144.59 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.631 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 86.5 mt -123.57 132.97 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -116.81 114.41 23.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.796 ' CE2' HG11 ' A' ' 70' ' ' VAL . 9.7 p90 -121.37 144.1 48.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.464 ' HB2' ' CD2' ' A' ' 69' ' ' TRP . 2.2 m -169.38 148.55 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.877 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.5 p -64.36 -26.1 68.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.541 ' O ' ' CZ2' ' A' ' 69' ' ' TRP . 1.0 OUTLIER -91.49 138.23 31.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.531 ' HB ' ' CZ ' ' A' ' 93' ' ' TYR . 14.5 p -99.64 -11.43 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -110.09 -22.69 11.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.27 134.59 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . 2.3 mp0 -47.43 127.64 11.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.0 tp -40.89 -25.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.177 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 65' ' ' GLU . 1.4 p80 -69.73 -43.54 72.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.468 ' N ' ' CG ' ' A' ' 67' ' ' HIS . 38.8 t70 -60.67 -30.27 69.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.541 ' CZ2' ' O ' ' A' ' 61' ' ' ASP . 16.9 m95 -60.79 154.31 22.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.796 HG11 ' CE2' ' A' ' 58' ' ' TYR . 7.3 p -81.03 155.6 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.188 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.538 HG22 ' HD3' ' A' ' 73' ' ' PRO . 97.1 mt -109.63 111.62 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -107.63 86.63 2.97 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.538 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.9 Cg_endo -69.77 130.48 19.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 99.8 t -107.15 98.34 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.4 m -53.36 167.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.64 -175.09 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -88.06 26.7 1.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.475 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 1.0 OUTLIER -53.17 144.96 14.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 26.0 mt -112.45 2.42 16.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.08 149.58 46.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -125.41 153.81 42.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -125.08 96.93 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 36' ' ' THR . 33.5 mt -94.33 145.81 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.23 176.55 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 58.34 53.8 6.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.2 mt -115.72 162.49 17.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.712 ' O ' HG21 ' A' ' 115' ' ' THR . 1.1 m -81.51 153.26 26.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.4 mt -106.05 171.27 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.429 ' HB2' ' NZ ' ' A' ' 117' ' ' LYS . 22.3 t70 45.39 41.64 6.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.6 m -147.65 131.07 8.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.538 0.685 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 110.58 2.58 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.343 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -105.77 140.89 38.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.531 ' CZ ' ' HB ' ' A' ' 62' ' ' VAL . 26.9 m-85 -105.03 140.35 38.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -128.31 148.69 50.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 110' ' ' ALA . 62.9 mttm -140.47 127.96 21.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.494 HD13 ' CG ' ' A' ' 41' ' ' TRP . 88.8 mt -109.62 153.57 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.42 ' N ' HG22 ' A' ' 96' ' ' ILE . 18.9 tt0 -156.37 139.15 15.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.45 127.26 46.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.456 ' CB ' ' HA ' ' A' ' 104' ' ' MET . 17.3 ptt180 -133.86 153.94 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.463 ' OD1' HD13 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -122.33 -177.28 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 64.7 m -48.4 -36.71 15.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.421 ' HE2' ' N ' ' A' ' 102' ' ' LYS . 0.5 OUTLIER -68.89 -72.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.459 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -158.64 -168.61 21.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.456 ' HA ' ' CB ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -103.77 170.67 7.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 110.849 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -112.8 -156.62 12.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 150.36 68.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 30.0 mtt -93.07 139.61 30.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.1 p -76.44 166.34 23.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -63.37 157.65 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.415 ' HB2' ' HE2' ' A' ' 95' ' ' LYS . . . -71.06 112.06 6.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 55.4 t -84.13 102.58 10.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -76.73 112.41 13.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -126.99 117.98 23.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -72.14 133.18 45.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.712 HG21 ' O ' ' A' ' 87' ' ' THR . 1.6 p -72.81 150.25 90.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -163.59 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.429 ' NZ ' ' HB2' ' A' ' 89' ' ' ASP . 6.3 mmpt? -141.91 154.98 45.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -83.08 130.56 35.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 66.9 m -134.55 138.87 44.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -79.16 -81.24 0.73 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 89.68 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.642 2.228 . . . . 0.0 112.305 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.6 t -112.37 122.64 48.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 124' ' ' GLY . 32.6 p -53.41 149.34 7.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.824 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 123' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -140.05 145.84 38.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -136.42 146.48 46.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.83 67.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -72.83 172.33 11.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -124.11 146.47 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 113.83 170.26 17.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 7' ' ' GLY . 9.1 t -35.63 140.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.79 0.329 . . . . 0.0 111.181 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.14 177.35 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -143.16 163.61 32.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.72 -127.96 9.31 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 102' ' ' LYS . 71.4 p -64.41 100.51 0.36 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 111.181 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.529 HG23 ' N ' ' A' ' 14' ' ' PHE . 10.0 t -109.65 -46.97 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.529 ' N ' HG23 ' A' ' 13' ' ' THR . 0.3 OUTLIER -134.91 36.5 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.613 ' C ' HD22 ' A' ' 16' ' ' LEU . 19.3 mt-10 -148.83 138.43 21.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.613 HD22 ' C ' ' A' ' 15' ' ' GLU . 2.2 mm? -115.34 117.99 31.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.6 m -57.17 154.11 22.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.748 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 97.03 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 0.0 112.325 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.5 p -82.83 19.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -123.47 132.69 24.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.55 37.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 175.48 8.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.375 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -131.28 177.71 7.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.4 t0 50.63 37.28 15.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.08 104.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.1 p -133.08 147.3 52.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.602 HG13 HG22 ' A' ' 39' ' ' VAL . 42.5 t -126.59 110.99 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 38' ' ' ILE . 19.4 m -112.24 166.37 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.1 p -110.93 166.7 10.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -100.43 137.71 38.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -69.1 -62.52 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -44.89 -37.39 5.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -136.73 129.5 17.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.554 0.692 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -49.6 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -54.63 -41.99 70.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 m -67.59 134.55 51.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.4 pt -139.49 149.84 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.681 ' O ' HG22 ' A' ' 28' ' ' VAL . 4.0 mp -115.38 123.24 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.672 ' CG1' HD11 ' A' ' 96' ' ' ILE . 94.5 t -106.5 115.46 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.57 162.74 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 28.2 p90 -174.99 -176.11 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -147.32 157.98 44.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.573 0.702 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 152.45 69.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.344 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 133.5 25.61 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.637 2.225 . . . . 0.0 112.341 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.1 m -46.69 -38.63 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -90.28 92.96 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ASN . . . -102.12 65.22 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' ALA . 81.9 m-20 -35.85 -40.62 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.8 -142.69 5.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.23 129.86 56.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.732 0.301 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.542 HD13 ' OD1' ' A' ' 100' ' ' ASN . 14.5 mm -80.0 110.62 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.179 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.1 p -83.93 -38.02 21.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.55 -175.09 35.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.506 ' CE2' HG21 ' A' ' 51' ' ' ILE . 1.2 m-85 -138.72 148.91 44.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.921 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.785 HD12 ' OE1' ' A' ' 97' ' ' GLN . 47.7 mt -119.12 139.61 45.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.0 mt -118.63 133.77 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.186 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -119.49 130.68 55.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.679 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 2.1 p90 -147.75 148.02 30.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.2 t -174.13 132.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.0 p -42.87 -34.66 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.176 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -91.38 131.16 37.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 p -95.45 -25.14 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -85.35 -15.79 42.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.81 149.83 10.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 67' ' ' HIS . 8.8 mp0 -62.66 134.78 56.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.431 HD11 ' SD ' ' A' ' 107' ' ' MET . 10.1 tp -38.9 -28.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.513 ' CG ' ' N ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -68.71 -45.25 72.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.513 ' N ' ' CG ' ' A' ' 67' ' ' HIS . 3.9 t70 -56.78 -24.21 48.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.474 ' CZ3' ' HE3' ' A' ' 95' ' ' LYS . 13.3 m95 -70.12 132.6 46.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.679 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 8.5 p -64.44 146.35 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.432 HG22 ' HD3' ' A' ' 73' ' ' PRO . 48.4 mt -103.49 109.67 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -107.21 84.66 1.77 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.594 0.712 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.432 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.6 Cg_endo -69.7 132.13 22.78 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.501 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 85.1 t -106.74 109.24 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.97 157.71 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.93 -178.48 2.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -85.89 43.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.501 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 4.1 tpt180 -74.59 137.22 42.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.7 mt -105.9 8.29 32.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 t -136.4 154.13 50.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -140.85 149.74 42.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -114.42 105.03 12.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.827 HG22 HD11 ' A' ' 86' ' ' LEU . 84.3 mt -106.98 112.26 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -118.08 -175.95 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 63.37 48.36 3.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.827 HD11 HG22 ' A' ' 83' ' ' ILE . 13.4 mt -119.43 168.08 11.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.577 ' O ' HG21 ' A' ' 115' ' ' THR . 2.4 m -79.65 150.51 30.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 20.3 mt -99.76 165.29 11.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.1 t0 44.35 44.14 6.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.587 HG23 ' HD2' ' A' ' 91' ' ' PRO . 87.3 m -143.34 137.06 14.32 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.556 0.693 . . . . 0.0 111.155 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 90' ' ' THR . 53.5 Cg_endo -69.75 121.46 8.16 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -122.1 142.44 50.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.475 ' HB3' ' HB1' ' A' ' 110' ' ' ALA . 5.9 m-85 -113.44 125.42 54.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -117.09 150.36 38.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.474 ' HE3' ' CZ3' ' A' ' 69' ' ' TRP . 5.4 mtmp? -140.61 127.94 21.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.672 HD11 ' CG1' ' A' ' 39' ' ' VAL . 53.1 mt -107.49 144.96 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.785 ' OE1' HD12 ' A' ' 55' ' ' ILE . 0.7 OUTLIER -142.64 154.22 44.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.07 117.09 32.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.756 ' HD3' HD11 ' A' ' 55' ' ' ILE . 33.9 ptt85 -116.18 149.74 38.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.542 ' OD1' HD13 ' A' ' 51' ' ' ILE . 13.6 m-20 -122.49 -175.85 3.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.4 t -53.8 -32.07 51.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.424 ' NZ ' ' HA ' ' A' ' 12' ' ' THR . 21.1 mmmt -73.57 -70.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -158.52 -160.65 10.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.417 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.536 ' SD ' HD12 ' A' ' 55' ' ' ILE . 48.1 mtm -104.51 156.39 17.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.5 -157.98 25.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 162.49 41.9 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.431 ' SD ' HD11 ' A' ' 66' ' ' ILE . 45.9 mtt -108.15 146.3 32.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.1 p -78.03 176.46 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -73.25 152.27 41.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.475 ' HB1' ' HB3' ' A' ' 93' ' ' TYR . . . -62.88 108.55 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.6 t -82.52 101.06 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -76.62 100.87 5.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -114.3 113.97 25.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -72.11 117.76 14.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.577 HG21 ' O ' ' A' ' 87' ' ' THR . 9.6 p -54.97 147.26 34.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.546 0.688 . . . . 0.0 111.152 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -141.45 155.61 45.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.76 110.81 9.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.073 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.8 m -123.35 175.41 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -82.38 131.52 10.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 101.77 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.7 p -100.0 168.98 9.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.5 t -69.59 110.32 4.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m 41.0 41.99 1.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 m -84.19 148.78 26.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.08 97.71 0.18 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 m -127.31 144.23 51.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 110.907 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -80.64 125.62 30.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.9 84.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.8 m -112.26 -54.11 2.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.788 0.328 . . . . 0.0 111.17 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -44.95 148.03 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -66.3 -60.23 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.808 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.41 48.52 0.51 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 13' ' ' THR . 55.9 m -91.31 -53.78 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 111.085 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 12' ' ' THR . 70.2 p -36.88 134.59 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.507 ' CG ' ' O ' ' A' ' 14' ' ' PHE . 3.0 p90 -68.23 118.04 10.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.502 ' C ' HD22 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -60.95 160.13 10.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.502 HD22 ' C ' ' A' ' 15' ' ' GLU . 3.3 mm? -117.04 117.28 29.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.4 m -55.34 153.41 13.8 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.601 0.715 . . . . 0.0 111.118 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 102.55 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -85.78 5.88 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 t -116.89 136.39 23.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 163.67 37.37 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.365 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 158.22 57.72 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.79 -179.04 3.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t70 53.56 27.76 7.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.495 HG13 HD12 ' A' ' 96' ' ' ILE . 92.8 t -67.0 107.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.5 p -136.72 147.3 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.77 112.55 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.2 m -111.75 -179.97 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.1 p -112.38 169.33 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -103.61 141.56 35.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -84.36 104.9 14.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 121.66 -28.82 5.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 1.5 tmtm? -128.77 101.64 20.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.539 0.685 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 53.4 Cg_endo -69.79 -18.15 37.02 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -86.81 -7.21 58.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.409 HG23 ' HG2' ' A' ' 84' ' ' GLN . 99.5 m -111.83 150.18 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.537 HD11 ' CE2' ' A' ' 94' ' ' PHE . 7.2 pt -148.07 156.31 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.489 HD12 ' N ' ' A' ' 38' ' ' ILE . 4.3 mp -117.24 124.11 72.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.424 ' O ' ' CZ3' ' A' ' 41' ' ' TRP . 87.2 t -104.3 103.74 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -91.14 154.95 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.632 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 22.4 p90 -171.01 -176.84 2.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -146.8 161.19 38.47 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.576 0.703 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 151.19 69.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.39 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 163.46 38.14 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.647 2.231 . . . . 0.0 112.366 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -83.42 -20.39 34.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -100.28 38.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -46.6 -38.24 9.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 39.38 25.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . 161.85 145.63 4.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 141.64 6.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.612 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 10.7 mm -99.07 117.65 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.572 HG23 ' HA ' ' A' ' 100' ' ' ASN . 15.0 p -75.18 -49.12 20.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.185 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -166.38 -156.77 9.74 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.444 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.612 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 7.4 m-85 -151.54 156.35 40.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 0.0 110.962 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.427 ' CG2' ' CZ ' ' A' ' 57' ' ' TYR . 42.7 mt -123.03 138.94 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.632 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 91.6 mt -118.25 130.14 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CZ ' ' CG2' ' A' ' 55' ' ' ILE . 3.0 m-85 -118.95 123.56 44.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.536 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 4.3 p90 -133.08 137.27 46.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -155.21 150.43 27.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 40.7 p -60.17 -40.7 90.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.153 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -88.08 143.79 26.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.449 ' O ' HG22 ' A' ' 62' ' ' VAL . 7.3 p -97.58 -12.01 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.57 -13.51 15.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.51 134.22 24.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 68' ' ' ASP . 14.7 mt-10 -46.98 132.17 11.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.5 tp -42.18 -27.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.482 ' ND1' ' N ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER -69.67 -42.19 74.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.899 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.482 ' N ' ' ND1' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -61.63 -23.64 66.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -69.17 145.15 53.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.469 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 5.5 p -76.2 154.89 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.9 mt -111.38 108.97 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -109.09 87.25 4.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 140.77 43.66 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.375 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.9 t -110.1 122.44 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.0 m -76.49 160.15 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.26 -173.91 0.95 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -86.88 36.29 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -73.67 146.01 44.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.511 ' HA ' ' CE2' ' A' ' 41' ' ' TRP . 7.6 mt -119.03 12.58 12.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.3 t -137.88 141.63 40.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -134.22 149.64 50.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -117.08 105.17 11.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.424 HD13 ' CD2' ' A' ' 58' ' ' TYR . 85.1 mt -99.98 126.45 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.409 ' HG2' HG23 ' A' ' 36' ' ' THR . 32.5 mt-30 -115.41 -176.41 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 59.61 37.01 22.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.5 mt -100.24 152.38 20.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.543 ' O ' HG21 ' A' ' 115' ' ' THR . 0.8 OUTLIER -77.69 151.28 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 89' ' ' ASP . 13.7 mt -97.8 177.07 5.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 88' ' ' LEU . 15.5 t0 36.91 43.62 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 51.9 m -146.82 127.17 6.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 111.139 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 108.84 2.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.369 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -102.54 130.23 49.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -98.45 116.47 30.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.537 ' CE2' HD11 ' A' ' 37' ' ' ILE . 34.4 m-85 -107.54 158.11 17.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -149.63 140.81 23.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.522 HD13 ' HB3' ' A' ' 41' ' ' TRP . 40.9 mt -117.11 153.36 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.418 ' N ' HG22 ' A' ' 96' ' ' ILE . 7.8 tt0 -154.52 136.3 14.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -101.32 126.65 48.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.462 ' CB ' ' HG2' ' A' ' 104' ' ' MET . 19.6 ptt180 -127.88 151.29 49.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.572 ' HA ' HG23 ' A' ' 52' ' ' THR . 0.6 OUTLIER -126.41 176.91 6.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.0 t -44.16 -34.7 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.46 ' HE2' ' N ' ' A' ' 102' ' ' LYS . 0.4 OUTLIER -65.95 -73.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -158.83 -149.77 5.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.462 ' HG2' ' CB ' ' A' ' 99' ' ' ARG . 57.6 mtm -116.26 156.7 26.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.97 -158.57 24.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 163.53 37.95 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 27.7 mtt -105.58 122.67 46.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.5 p -54.49 160.22 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -65.29 140.78 58.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.42 116.73 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 84.4 t -89.18 101.52 12.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -76.8 100.72 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -115.98 114.57 24.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.1 ttm-85 -72.45 118.99 16.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.543 HG21 ' O ' ' A' ' 87' ' ' THR . 14.8 p -58.17 144.27 77.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.555 0.693 . . . . 0.0 111.164 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -138.72 157.09 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.58 45.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.7 t -89.63 48.6 1.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 51.25 177.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 150.44 68.53 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.738 2.292 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.5 m -94.53 112.81 24.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 34.7 p -139.39 149.83 44.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.442 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 m -145.11 168.09 21.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.858 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -94.83 -47.08 6.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.16 64.47 3.23 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -118.87 40.16 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.389 . . . . 0.0 110.871 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.1 p -96.36 49.2 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.34 81.89 0.14 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -126.76 -2.73 6.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.747 0.308 . . . . 0.0 111.125 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.43 80.55 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -60.89 103.38 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -118.31 -76.15 0.53 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.451 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.0 m -45.1 106.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 111.151 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 t -80.49 118.47 22.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -125.44 124.46 41.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.498 ' C ' HD22 ' A' ' 16' ' ' LEU . 5.2 mp0 -111.8 148.61 33.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.639 ' N ' HD22 ' A' ' 16' ' ' LEU . 1.8 mm? -116.96 109.94 17.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.0 m -44.97 154.1 0.47 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.624 0.726 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.456 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 53.9 Cg_endo -69.74 107.26 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.724 2.283 . . . . 0.0 112.339 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.1 p -86.17 12.67 9.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 t -124.52 135.94 27.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 163.76 37.08 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.719 2.279 . . . . 0.0 112.33 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 168.59 21.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -128.85 179.9 5.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t0 52.72 35.27 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.488 ' CG1' HG21 ' A' ' 111' ' ' VAL . 75.8 t -68.1 108.43 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 p -136.45 144.32 44.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.648 HG22 HG22 ' A' ' 39' ' ' VAL . 59.9 t -132.72 112.02 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.73 176.31 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -115.53 157.11 24.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -93.13 146.08 23.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 32' ' ' GLY . 14.6 tp10 -74.27 -67.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 31' ' ' GLU . . . -36.35 -37.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.527 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -139.34 131.63 15.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.541 0.686 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -51.42 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' HZ3' ' HG3' ' A' ' 35' ' ' LYS . 18.6 mtmm -52.45 -43.05 64.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.4 m -62.92 140.73 58.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.2 pt -143.27 156.15 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mp -118.92 130.53 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.648 HG22 HG22 ' A' ' 27' ' ' VAL . 53.5 t -117.13 111.9 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -102.67 150.92 22.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.537 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 33.5 p90 -160.68 -176.19 5.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -145.48 155.73 53.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.647 0.737 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 154.29 68.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 0.0 112.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 144.38 54.24 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.349 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.5 t -59.67 -47.5 85.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 47' ' ' ALA . 57.1 mm-40 -48.02 -50.17 28.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 34.29 51.37 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 47' ' ' ALA . 98.5 m-20 -34.34 -35.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -142.45 -152.19 5.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.542 ' O ' HD13 ' A' ' 51' ' ' ILE . 13.1 ptpt -84.34 177.51 8.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.312 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.569 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 16.9 mm -133.25 122.98 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.3 p -96.8 -34.48 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.186 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.22 -169.29 35.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.569 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 21.3 m-85 -142.49 172.0 13.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.858 0.361 . . . . 0.0 110.949 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.418 ' CG2' ' CZ ' ' A' ' 57' ' ' TYR . 28.7 mt -139.43 131.95 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.537 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 67.7 mt -111.99 134.3 54.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.418 ' CZ ' ' CG2' ' A' ' 55' ' ' ILE . 13.3 m-85 -120.92 122.61 40.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.842 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 3.1 p90 -134.61 151.43 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 t -171.18 144.06 2.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.588 HG22 ' CZ ' ' A' ' 92' ' ' TYR . 37.7 p -49.5 -51.78 33.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.632 ' CG ' ' HB2' ' A' ' 64' ' ' ALA . 1.1 p30 -73.6 157.07 37.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.454 ' HB ' ' CE1' ' A' ' 93' ' ' TYR . 9.3 p -111.21 -25.15 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -92.91 -14.55 27.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.632 ' HB2' ' CG ' ' A' ' 61' ' ' ASP . . . -51.78 140.41 19.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -53.13 136.87 35.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.0 tp -50.2 -20.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -34.23 61.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -68.94 -31.18 69.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -59.78 151.08 26.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.842 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 9.5 p -78.35 150.64 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.466 HG22 ' HD3' ' A' ' 73' ' ' PRO . 67.0 mt -104.33 116.68 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.731 ' OE1' HG13 ' A' ' 70' ' ' VAL . 4.8 mp0 -115.98 84.61 13.64 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.61 0.719 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.466 ' HD3' HG22 ' A' ' 71' ' ' ILE . 54.0 Cg_endo -69.77 142.51 48.07 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.633 2.222 . . . . 0.0 112.357 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.4 t -112.65 121.09 64.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.1 m -75.55 168.52 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.98 -168.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -91.94 42.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.362 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -78.7 139.07 38.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.462 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 62.3 mt -110.16 1.03 18.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -129.36 139.81 51.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -126.41 154.06 44.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -123.48 109.44 13.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.1 mt -107.2 145.22 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.07 -175.83 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 63.43 38.99 9.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.7 mt -104.33 149.62 25.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.508 ' O ' HG21 ' A' ' 115' ' ' THR . 19.9 m -75.73 137.17 40.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 89' ' ' ASP . 17.4 mt -82.67 -179.65 7.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 24.7 t70 36.28 43.31 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.2 m -147.75 122.56 5.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 111.04 2.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.588 ' CZ ' HG22 ' A' ' 60' ' ' THR . 12.5 m-85 -105.6 147.68 28.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.506 ' HB3' ' HB1' ' A' ' 110' ' ' ALA . 30.9 m-85 -112.16 126.12 54.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -113.54 152.81 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -139.92 139.1 36.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.412 HD12 HG22 ' A' ' 25' ' ' VAL . 20.3 mt -112.82 144.32 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.428 ' CD ' ' HB3' ' A' ' 104' ' ' MET . 38.6 tt0 -149.91 141.74 23.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.29 158.09 16.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -154.95 145.15 21.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 102' ' ' LYS . 14.3 p-10 -127.81 -178.15 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.5 p -43.71 -22.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 100' ' ' ASN . 14.3 mmmt -83.89 -75.08 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -165.14 -155.43 8.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.535 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.428 ' HB3' ' CD ' ' A' ' 97' ' ' GLN . 29.6 mtm -93.95 176.72 6.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -124.61 -155.86 9.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.456 ' CD ' ' O ' ' A' ' 18' ' ' PRO . 53.5 Cg_endo -69.79 149.58 66.91 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 3.6 mtt -95.06 131.12 41.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.0 p -75.49 169.49 17.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -66.75 143.76 56.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.506 ' HB1' ' HB3' ' A' ' 93' ' ' TYR . . . -61.28 119.79 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.052 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.488 HG21 ' CG1' ' A' ' 25' ' ' VAL . 76.5 t -84.36 101.89 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -73.84 101.49 3.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -120.12 116.14 25.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -74.44 143.27 44.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.508 HG21 ' O ' ' A' ' 87' ' ' THR . 12.1 p -80.8 148.68 65.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 0.0 111.122 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -163.82 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.348 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -139.87 151.0 45.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.51 74.29 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.081 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.7 m -109.37 160.68 15.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -92.17 143.01 16.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -0.08 6.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.674 2.25 . . . . 0.0 112.377 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 t -38.3 104.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.826 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 96.2 p -47.99 141.68 5.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.45 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 m -119.83 170.66 9.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.372 . . . . 0.0 110.908 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 p -98.38 152.86 19.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.65 -60.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -52.65 129.12 28.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.928 0.394 . . . . 0.0 110.881 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 p -135.1 160.2 39.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.32 141.59 21.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 t -109.91 125.27 52.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 111.162 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.73 114.57 26.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.17 42.22 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.7 136.25 3.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.1 p -143.93 133.49 23.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 111.148 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.5 p -101.86 -46.23 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.19 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -58.99 145.75 40.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.716 ' C ' HD22 ' A' ' 16' ' ' LEU . 3.6 tp10 -148.58 173.97 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.716 HD22 ' C ' ' A' ' 15' ' ' GLU . 4.0 mm? -126.9 116.12 20.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.434 HG12 ' H ' ' A' ' 103' ' ' GLY . 10.4 m -53.41 154.21 6.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 111.158 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.408 ' O ' ' HD2' ' A' ' 106' ' ' PRO . 53.9 Cg_endo -69.78 98.68 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.734 2.289 . . . . 0.0 112.334 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 t -82.84 21.65 1.0 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 t -130.15 136.1 28.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.631 0.729 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 156.33 63.43 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.7 2.266 . . . . 0.0 112.292 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.09 51.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.627 2.218 . . . . 0.0 112.368 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.8 -176.49 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 56.19 30.43 16.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.536 HG22 HD12 ' A' ' 96' ' ' ILE . 68.9 t -66.98 106.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.3 p -132.76 146.59 51.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.155 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.6 t -132.6 106.43 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.6 m -112.71 165.52 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -94.62 153.2 17.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.617 ' HD2' HD11 ' A' ' 38' ' ' ILE . 15.5 tptp -73.7 145.9 44.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 10.4 tt0 -82.6 105.92 14.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.74 -42.12 2.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -109.08 110.89 60.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -33.27 16.5 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.644 2.229 . . . . 0.0 112.306 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -73.6 -10.48 59.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.7 m -111.17 143.22 42.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.2 pt -142.35 162.61 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.617 HD11 ' HD2' ' A' ' 30' ' ' LYS . 5.3 mp -122.0 138.49 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.4 t -126.9 127.9 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -116.94 166.67 11.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.544 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 45.8 p90 -173.4 178.99 2.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -139.48 155.54 71.86 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.82 63.7 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 123.18 9.86 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.343 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -39.94 -33.57 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -60.44 -58.35 8.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 37.89 51.41 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' ALA . 97.6 m-20 -36.53 -29.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -146.42 166.43 28.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -55.1 108.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.591 HD13 ' OD1' ' A' ' 100' ' ' ASN . 29.1 mm -62.64 111.79 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.6 p -71.45 -39.35 71.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -175.83 -156.41 14.86 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.547 ' N ' HH12 ' A' ' 99' ' ' ARG . 0.2 OUTLIER -152.82 148.72 27.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.948 -179.84 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.687 HD12 HH21 ' A' ' 99' ' ' ARG . 26.0 mt -123.44 144.89 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.544 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 96.0 mt -115.81 127.53 73.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -108.84 123.38 48.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.57 ' C ' ' CD1' ' A' ' 58' ' ' TYR . 1.1 p90 -144.14 141.23 29.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.5 t -151.87 -176.37 5.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.1 p -96.68 27.23 4.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 62' ' ' VAL . 34.6 t0 -164.3 152.93 13.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.477 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 10.5 p -104.67 -15.81 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -94.03 -13.24 27.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.18 157.13 10.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 67' ' ' HIS . 12.3 mt-10 -83.26 135.55 34.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' GLU . 9.0 tp -34.86 -31.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' GLU . 1.8 m170 -54.03 -49.99 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.81 -34.98 79.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -54.04 121.35 7.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.553 HG11 ' CE2' ' A' ' 58' ' ' TYR . 3.6 p -57.5 154.46 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.495 HG22 ' HD3' ' A' ' 73' ' ' PRO . 95.7 mt -111.71 107.24 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -107.03 86.16 2.3 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.618 0.723 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.495 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.75 132.35 23.17 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.486 HG21 ' CH2' ' A' ' 41' ' ' TRP . 60.1 t -99.93 99.9 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.4 m -60.18 148.38 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.93 171.75 4.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 78' ' ' ARG . 3.4 p-10 -62.45 -10.34 11.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 77' ' ' ASN . 8.6 ttm-85 -34.32 145.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.451 ' O ' ' CE3' ' A' ' 41' ' ' TRP . 10.0 mt -122.57 15.3 10.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.7 t -130.56 152.77 49.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.186 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -144.49 145.76 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -112.74 116.02 29.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 78.6 mt -110.53 104.94 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -104.21 179.26 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 61.35 48.03 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.9 mt -106.1 178.84 4.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.62 ' O ' HG21 ' A' ' 115' ' ' THR . 15.7 m -102.22 146.08 28.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.2 mt -91.45 173.97 7.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.0 t70 38.75 41.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.5 m -146.76 120.46 5.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.593 0.711 . . . . 0.0 111.143 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.48 3.09 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -102.66 131.86 49.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.972 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -94.82 117.53 30.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -110.31 150.95 28.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -141.08 145.28 35.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.536 HD12 HG22 ' A' ' 25' ' ' VAL . 32.3 mt -119.56 160.01 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.521 ' N ' HG22 ' A' ' 96' ' ' ILE . 2.0 pt20 -157.76 176.34 12.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.58 140.9 31.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.687 HH21 HD12 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -138.3 154.23 49.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.591 ' OD1' HD13 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -128.25 -176.13 3.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.8 t -43.01 -25.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -81.51 -75.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.434 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -165.81 -159.68 12.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.3 mtm -92.56 177.45 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -123.43 -160.35 10.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 18' ' ' PRO . 54.4 Cg_endo -69.71 143.46 51.14 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 17.6 mmt -73.17 144.94 46.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.8 p -81.63 177.27 9.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -73.23 131.39 41.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.08 115.96 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 86.4 t -89.07 102.26 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -81.08 105.7 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -121.88 117.02 25.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -71.94 137.47 47.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.62 HG21 ' O ' ' A' ' 87' ' ' THR . 19.4 p -76.3 145.91 77.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.568 0.699 . . . . 0.0 111.171 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -163.49 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -138.55 161.84 36.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.92 39.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.066 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.0 t -108.95 87.66 2.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 170.78 128.12 1.0 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 178.39 4.6 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 91.9 p -53.43 166.33 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.4 m -111.81 146.43 37.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -97.69 88.32 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.905 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 t -164.12 146.28 9.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.96 82.29 1.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.2 p -173.67 172.01 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -130.94 47.56 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.828 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.51 -141.28 34.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.8 p -101.81 58.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 111.116 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.07 124.89 7.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -115.79 -61.26 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.17 71.24 0.87 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.7 p -115.83 106.78 14.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 111.13 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.3 p -110.05 16.7 21.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -157.01 154.09 29.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -108.77 175.73 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.8 mt -144.17 109.62 5.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 103' ' ' GLY . 31.4 m -44.93 152.67 0.54 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.573 0.701 . . . . 0.0 111.168 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 98.55 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.676 2.25 . . . . 0.0 112.317 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 t -83.21 19.55 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.6 t -133.11 143.97 50.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 161.18 46.92 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -175.51 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -140.75 175.13 9.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 47.21 36.21 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.517 HG13 HD12 ' A' ' 96' ' ' ILE . 73.4 t -71.66 105.54 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -125.57 152.98 44.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.7 t -131.7 111.24 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -112.91 173.3 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 t -104.97 167.24 9.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 15.9 tptp -85.96 149.02 25.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 15.0 tt0 -78.67 100.95 7.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.9 -42.68 1.9 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -105.0 109.19 62.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.708 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -47.88 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -57.01 -16.98 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 94.6 m -101.9 136.42 41.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.3 pt -136.05 156.93 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.1 mp -121.57 118.55 56.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.3 t -95.34 120.56 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.3 OUTLIER -110.09 159.04 17.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.485 ' CG ' HD13 ' A' ' 96' ' ' ILE . 38.3 p90 -174.46 -179.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -139.84 156.72 70.65 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 143.74 51.92 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 163.09 39.58 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.3 t -64.54 -40.1 94.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' ALA . 28.1 mm-40 -43.27 -64.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 34.49 45.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -75.79 53.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 150.73 133.8 2.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -41.24 128.94 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.309 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.5 mm -79.98 142.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.4 p -116.65 -37.47 3.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.61 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -172.99 -163.58 26.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 53' ' ' GLY . 4.0 m-85 -147.62 163.18 37.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.873 HD12 ' OE1' ' A' ' 97' ' ' GLN . 39.5 mt -131.15 124.24 55.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.193 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.429 HD11 ' HB2' ' A' ' 81' ' ' HIS . 27.3 mt -106.94 140.81 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -125.05 129.1 49.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.695 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 4.7 p90 -140.11 151.42 45.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.939 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 t -172.72 157.12 3.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.576 HG22 ' CZ ' ' A' ' 92' ' ' TYR . 82.4 p -84.78 47.33 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.135 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.526 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 6.6 m-20 -171.89 118.47 0.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.2 p -80.05 -28.2 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -98.39 27.41 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.526 ' HB2' ' HB3' ' A' ' 61' ' ' ASP . . . -95.84 139.54 31.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.492 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . 2.7 mm-40 -49.36 134.87 18.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.9 tp -41.61 -38.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.492 ' CD2' ' HB3' ' A' ' 65' ' ' GLU . 2.7 p80 -61.99 -38.72 89.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' GLU . 38.1 t70 -57.48 -33.4 67.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -66.57 138.61 57.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.695 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 9.5 p -73.77 151.76 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.571 HG22 ' HD3' ' A' ' 73' ' ' PRO . 89.4 mt -103.23 111.8 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.67 ' OE1' HG13 ' A' ' 70' ' ' VAL . 1.1 mp0 -109.2 83.54 2.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.638 0.732 . . . . 0.0 110.932 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.571 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.7 Cg_endo -69.75 121.79 8.48 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.489 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 97.8 t -93.52 104.98 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 36.0 m -59.91 159.78 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.04 172.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.29 66.46 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.489 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 3.6 tpt180 -99.0 143.84 28.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.42 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 76.3 mt -109.63 1.07 19.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.6 t -131.64 147.49 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.429 ' HB2' HD11 ' A' ' 56' ' ' ILE . 21.8 t60 -132.89 152.91 51.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -123.48 127.53 48.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.0 mt -126.75 118.23 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.5 ' O ' ' CG ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -109.94 -174.09 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 84' ' ' GLN . 10.9 pt-20 46.53 55.05 8.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 32.8 mt -106.91 -175.34 2.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.661 ' O ' HG21 ' A' ' 115' ' ' THR . 2.6 m -104.39 132.79 50.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.0 mt -90.94 177.75 6.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 65.6 t0 38.21 39.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.503 HG23 ' HD2' ' A' ' 91' ' ' PRO . 53.2 m -148.44 134.98 10.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.707 . . . . 0.0 111.138 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.503 ' HD2' HG23 ' A' ' 90' ' ' THR . 54.2 Cg_endo -69.75 128.75 16.49 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.382 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.576 ' CZ ' HG22 ' A' ' 60' ' ' THR . 8.3 m-85 -130.75 129.82 42.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -102.9 135.7 44.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -121.17 151.78 39.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -142.32 130.46 22.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.517 HD12 HG13 ' A' ' 25' ' ' VAL . 51.2 mt -103.35 143.44 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.873 ' OE1' HD12 ' A' ' 55' ' ' ILE . 18.1 tt0 -139.72 137.98 35.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -101.72 141.71 34.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.443 ' HD3' HD11 ' A' ' 55' ' ' ILE . 11.2 ptt85 -144.12 148.18 34.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 100' ' ' ASN . 4.5 p30 -127.11 -176.48 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.4 t -40.3 -39.53 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -66.81 -75.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.418 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -164.74 -161.37 13.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.42 ' HA ' ' CB ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -97.32 -179.45 4.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.313 . . . . 0.0 110.918 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -130.76 -158.54 9.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 173.38 11.01 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.761 2.307 . . . . 0.0 112.364 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -111.47 153.31 26.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.4 p -84.68 157.6 21.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -48.84 143.33 5.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -55.84 106.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 83.1 t -82.03 103.6 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -77.09 119.26 20.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -131.61 108.78 9.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -70.98 125.44 26.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.661 HG21 ' O ' ' A' ' 87' ' ' THR . 4.7 p -66.93 142.99 97.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 0.0 111.109 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -163.54 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -138.34 158.3 44.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.08 42.94 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.5 t -106.65 128.57 54.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 104.55 87.62 2.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.451 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 172.68 12.24 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.4 m -82.06 167.37 18.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.1 t -119.55 131.97 55.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.448 HD22 ' N ' ' A' ' 16' ' ' LEU . 2.5 mm? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.89 0.376 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 m -47.29 153.46 0.93 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.614 0.721 . . . . 0.0 111.151 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 93.56 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.752 2.301 . . . . 0.0 112.374 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.3 t -83.8 30.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.4 p -136.85 141.99 37.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 154.59 67.61 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.375 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.84 26.25 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.665 2.244 . . . . 0.0 112.346 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -119.96 169.94 9.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 58.26 45.69 16.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.495 HG13 HD12 ' A' ' 96' ' ' ILE . 70.1 t -79.73 107.16 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.2 p -130.39 145.36 51.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.616 HG22 HG22 ' A' ' 39' ' ' VAL . 55.8 t -132.3 105.02 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.5 m -106.49 176.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.5 m -114.87 140.42 48.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 16.1 tptt -55.86 151.48 11.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.482 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 27.6 tt0 -84.58 101.18 11.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.87 -31.41 8.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.425 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 17.3 tptt -109.03 103.19 51.52 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.562 0.696 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 53.4 Cg_endo -69.82 -37.02 9.59 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.307 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -69.67 -8.77 50.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.6 m -113.2 141.18 47.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.4 pt -144.04 153.47 15.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.564 HG23 HE21 ' A' ' 82' ' ' GLN . 4.6 mp -115.39 133.89 60.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.616 HG22 HG22 ' A' ' 27' ' ' VAL . 99.2 t -117.74 116.17 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -105.48 157.71 17.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.773 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 36.4 p90 -163.04 175.53 11.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -140.6 155.28 69.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.575 0.702 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 144.92 55.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.633 2.222 . . . . 0.0 112.37 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 152.99 69.68 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.357 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -64.81 -45.4 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' ALA . 9.2 mt-10 -45.9 -58.51 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 34.66 52.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' ALA . 90.4 m-20 -34.43 -34.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -135.04 -131.31 3.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -111.78 -176.25 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.87 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.534 HD13 ' O ' ' A' ' 50' ' ' LYS . 48.7 mm -129.15 148.0 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.5 p -130.65 -30.41 1.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.152 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.46 -176.26 38.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.54 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.423 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 55.4 m-85 -141.96 161.7 37.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.842 0.353 . . . . 0.0 110.936 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 93.6 mt -136.34 135.4 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.773 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 87.8 mt -117.89 143.02 29.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -118.76 137.63 53.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.97 ' CE2' HG11 ' A' ' 70' ' ' VAL . 3.7 p90 -149.88 140.5 22.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.0 t -163.58 140.06 6.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.1 p -48.5 -33.86 10.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -95.89 161.94 13.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.563 ' HB ' ' CE1' ' A' ' 93' ' ' TYR . 7.1 p -116.1 -38.43 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -77.68 -5.25 49.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.32 153.89 29.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 67' ' ' HIS . 23.2 mt-10 -77.89 135.53 37.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 65' ' ' GLU . 9.1 tp -34.92 -31.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' GLU . 1.3 m170 -53.03 -50.99 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -65.53 -35.71 81.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.592 ' CZ3' ' HE2' ' A' ' 95' ' ' LYS . 36.9 m95 -54.68 134.02 47.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.97 HG11 ' CE2' ' A' ' 58' ' ' TYR . 8.7 p -76.11 150.64 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.546 HG22 ' HD3' ' A' ' 73' ' ' PRO . 79.5 mt -107.49 112.51 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -107.12 84.18 1.58 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.686 0.755 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.546 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.2 Cg_endo -69.8 130.33 19.09 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.673 2.249 . . . . 0.0 112.306 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.585 HG11 ' HB3' ' A' ' 78' ' ' ARG . 99.0 t -100.36 136.52 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.9 m -100.92 163.4 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.18 32.72 84.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.0 p30 39.03 43.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.326 . . . . 0.0 110.905 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.585 ' HB3' HG11 ' A' ' 74' ' ' VAL . 1.1 tpt180 -73.77 149.01 42.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.478 ' HA ' ' CE2' ' A' ' 41' ' ' TRP . 35.9 mt -104.74 5.52 33.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 t -137.45 149.69 47.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -143.61 148.07 35.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.828 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.564 HE21 HG23 ' A' ' 38' ' ' ILE . 12.2 mp0 -119.56 133.97 55.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.8 mt -124.27 114.97 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -108.1 175.11 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 61.44 48.13 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.3 mt -106.54 179.26 4.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.6 m -95.37 148.47 22.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.154 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.422 ' HB3' ' CE ' ' A' ' 117' ' ' LYS . 53.6 mt -97.98 168.76 10.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.1 t70 39.21 47.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.8 m -145.42 129.91 8.9 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.539 0.685 . . . . 0.0 111.164 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 108.5 2.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -110.08 130.82 55.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.563 ' CE1' ' HB ' ' A' ' 62' ' ' VAL . 5.7 m-85 -101.24 124.68 47.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -113.85 151.73 31.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.592 ' HE2' ' CZ3' ' A' ' 69' ' ' TRP . 44.5 mtmt -139.93 140.31 36.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.592 HD13 ' HB3' ' A' ' 41' ' ' TRP . 9.1 mt -120.23 141.86 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.485 ' NE2' ' HB3' ' A' ' 104' ' ' MET . 1.8 pt20 -138.46 170.3 16.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -125.84 126.18 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -124.66 143.91 50.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.6 p30 -126.67 -177.33 3.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.3 t -38.38 -41.07 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.804 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -68.06 -73.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.54 -149.57 6.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.485 ' HB3' ' NE2' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -108.43 172.07 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 110.905 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -123.51 -160.56 10.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 143.32 50.59 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 8.1 mtt -85.97 149.02 25.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.4 p -76.63 169.43 18.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -57.05 147.34 24.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.04 114.47 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.68 105.6 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.075 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -82.33 112.22 19.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -127.81 109.29 11.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.2 ttp-105 -70.9 117.68 12.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.4 p -55.74 148.18 37.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.624 0.726 . . . . 0.0 111.089 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.422 ' CE ' ' HB3' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -142.78 147.46 35.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 179.81 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 16' ' ' LEU . 2.8 mm? . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.882 0.372 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -51.22 153.42 3.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.665 0.745 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 94.82 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 p -76.65 7.82 4.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.4 t -116.13 137.69 23.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.67 0.747 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.28 31.5 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.366 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 164.83 33.15 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.288 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -126.87 179.75 5.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 t0 49.92 36.7 12.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.9 t -68.18 110.24 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.6 p -138.42 148.06 44.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.9 t -131.23 111.18 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 38' ' ' ILE . 28.9 m -110.17 164.67 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.4 p -106.8 153.35 22.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 16.8 tptm -84.85 150.51 24.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 32.8 tt0 -86.06 -61.8 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -45.73 -30.28 3.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' CE ' ' HB2' ' A' ' 35' ' ' LYS . 1.1 tmtm? -143.53 130.22 10.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.55 0.691 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -51.61 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.403 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HB2' ' CE ' ' A' ' 33' ' ' LYS . 37.4 mttp -59.08 -19.13 41.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.5 m -90.09 129.9 36.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.077 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.6 pt -132.51 162.14 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.475 ' O ' HG22 ' A' ' 28' ' ' VAL . 5.1 mp -128.03 120.49 53.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 65.4 t -99.0 117.57 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -103.28 151.3 22.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.604 ' CH2' HD11 ' A' ' 56' ' ' ILE . 23.8 p90 -168.29 177.79 5.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -144.16 157.64 56.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.595 0.712 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 153.2 69.17 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.383 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 146.06 59.25 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.4 t -63.91 -23.08 67.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -97.3 58.71 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 48' ' ' ASN . . . -81.66 60.49 4.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 47' ' ' ALA . 20.1 m-20 -34.24 -36.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -125.1 -164.65 11.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -101.93 132.39 47.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.725 0.298 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.824 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 10.5 mm -82.82 137.28 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.157 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 p -109.92 -31.07 7.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.471 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -170.34 -179.81 42.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.824 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 2.5 m-85 -141.09 161.43 37.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.821 0.344 . . . . 0.0 110.957 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.921 HD12 ' NH1' ' A' ' 99' ' ' ARG . 46.3 mt -138.38 117.45 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.604 HD11 ' CH2' ' A' ' 41' ' ' TRP . 26.3 mt -95.66 147.32 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -129.81 118.85 22.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.77 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 12.2 p90 -120.47 148.48 43.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.518 ' HB2' ' CD2' ' A' ' 69' ' ' TRP . 1.7 m -171.94 146.8 2.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.1 p -70.5 -14.87 62.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -100.55 120.63 40.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 62' ' ' VAL . 9.9 p -87.05 2.13 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -121.37 -17.85 7.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.99 140.68 4.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 67' ' ' HIS . 6.2 mp0 -42.71 129.26 4.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.1 tp -42.82 -31.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 65' ' ' GLU . 2.0 p80 -83.58 -29.87 27.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' GLU . 8.8 m-20 -59.11 -27.11 65.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.518 ' CD2' ' HB2' ' A' ' 59' ' ' SER . 16.9 m95 -62.7 155.14 27.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.77 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 13.5 p -74.51 147.0 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.585 HG22 ' HD3' ' A' ' 73' ' ' PRO . 83.9 mt -99.02 120.19 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.584 ' OE1' HG13 ' A' ' 70' ' ' VAL . 4.7 mp0 -124.57 85.12 56.63 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.671 0.748 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.585 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.6 Cg_endo -69.79 148.59 65.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.315 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 60.4 t -119.97 119.0 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.3 m -79.3 164.11 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 77' ' ' ASN . . . 51.17 35.03 33.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' GLY . 0.3 OUTLIER 34.7 54.7 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.484 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 4.3 tpt180 -75.54 123.09 24.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.9 mt -75.25 -4.02 36.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 t -137.87 138.47 39.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -126.1 158.54 35.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -120.21 97.59 5.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.598 HG22 HD11 ' A' ' 86' ' ' LEU . 85.5 mt -98.77 120.02 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -123.91 -175.78 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 62.18 50.32 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.598 HD11 HG22 ' A' ' 83' ' ' ILE . 30.9 mt -118.57 174.19 6.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.424 ' O ' HG21 ' A' ' 115' ' ' THR . 22.0 m -86.49 146.72 26.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.6 mt -96.93 170.88 8.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 89' ' ' ASP . 21.1 t0 40.48 43.87 1.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.424 HG23 ' HD2' ' A' ' 91' ' ' PRO . 93.3 m -143.45 132.97 11.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.642 0.734 . . . . 0.0 111.133 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.424 ' HD2' HG23 ' A' ' 90' ' ' THR . 53.8 Cg_endo -69.74 108.55 2.1 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -109.79 145.16 37.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -115.11 141.67 47.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -128.18 153.88 46.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -138.67 131.36 29.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.1 mt -114.54 144.66 21.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 33.4 tt0 -153.56 138.25 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.61 144.33 29.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.921 ' NH1' HD12 ' A' ' 55' ' ' ILE . 11.6 ptp180 -149.52 157.99 43.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -125.42 -175.98 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.7 t -49.28 -32.42 10.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -71.27 -68.5 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.57 -169.76 32.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.432 ' CG ' ' HD3' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -103.01 167.57 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 110.883 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.496 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -113.09 -155.82 12.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.86 49.07 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.467 ' SD ' ' NE2' ' A' ' 97' ' ' GLN . 11.4 mmt -82.77 153.13 25.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 85.4 p -84.87 162.16 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 110' ' ' ALA . 7.6 pt-20 -68.62 124.53 23.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 109' ' ' GLU . . . -35.07 144.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.0 t -117.76 102.0 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -73.35 99.87 3.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -115.45 113.53 23.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -70.99 131.75 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.424 HG21 ' O ' ' A' ' 87' ' ' THR . 19.2 p -70.01 149.61 96.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.593 0.711 . . . . 0.0 111.131 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -163.72 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.542 ' HA ' ' HZ3' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -142.1 147.02 36.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.832 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.415 HG12 ' HB2' ' A' ' 102' ' ' LYS . 20.4 m -52.05 152.99 5.05 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.629 0.728 . . . . 0.0 111.109 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.404 ' O ' ' HD2' ' A' ' 106' ' ' PRO . 53.8 Cg_endo -69.82 100.79 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.8 t -85.46 26.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 m -136.27 134.63 20.14 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.27 38.87 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.32 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.556 ' HG3' HG22 ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.77 174.39 9.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.71 -176.54 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 39.8 54.01 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 t -87.76 109.73 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.9 p -128.42 145.41 51.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.414 HG13 HG22 ' A' ' 39' ' ' VAL . 43.2 t -130.02 109.43 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.5 m -115.9 166.63 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 p -103.5 155.87 18.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -91.68 143.56 26.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -73.46 -65.92 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -37.92 -37.92 0.47 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.441 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HE2' ' CG ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -143.28 133.54 12.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.562 0.696 . . . . 0.0 110.886 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -51.09 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.42 ' CG ' ' HE2' ' A' ' 33' ' ' LYS . 24.6 mttm -52.88 -35.9 58.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.9 m -73.22 130.97 41.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.475 HD11 ' CE2' ' A' ' 94' ' ' PHE . 6.8 pt -137.17 153.64 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.631 ' N ' HD12 ' A' ' 38' ' ' ILE . 3.5 mp -112.85 134.3 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.414 HG22 HG13 ' A' ' 27' ' ' VAL . 95.1 t -121.94 108.97 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -99.67 156.33 17.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.933 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 35.7 p90 -165.83 179.02 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -141.99 153.64 64.14 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.642 0.734 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 147.51 62.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.242 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 132.49 23.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.2 m -48.63 -31.21 6.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -85.69 73.27 10.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -85.79 59.03 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' ALA . 72.5 m-80 -34.67 -32.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -141.06 171.9 23.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 100' ' ' ASN . 18.3 tttt -72.29 132.59 44.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.754 0.312 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.48 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 4.4 mm -81.14 140.54 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.8 p -119.46 -14.55 9.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.9 173.85 38.99 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.443 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.48 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 59.5 m-85 -131.15 158.48 40.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.45 HD12 ' SD ' ' A' ' 104' ' ' MET . 67.4 mt -135.52 131.01 50.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.152 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.933 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 91.0 mt -109.76 140.04 30.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -126.17 115.1 19.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.535 ' CE2' HG11 ' A' ' 70' ' ' VAL . 2.4 p90 -125.5 147.09 49.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.491 ' HB2' ' CD2' ' A' ' 69' ' ' TRP . 2.1 m -169.86 152.76 4.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.431 HG22 ' CZ ' ' A' ' 92' ' ' TYR . 17.1 p -64.9 -40.27 94.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.118 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.463 ' CG ' ' HB2' ' A' ' 64' ' ' ALA . 1.1 p30 -80.28 137.07 36.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 62' ' ' VAL . 14.0 p -100.84 1.37 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -116.21 -24.18 8.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.463 ' HB2' ' CG ' ' A' ' 61' ' ' ASP . . . -45.61 139.94 3.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.583 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . 2.8 mp0 -47.78 130.09 14.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 67' ' ' HIS . 6.2 tp -38.11 -41.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.583 ' CD2' ' HB3' ' A' ' 65' ' ' GLU . 13.2 p80 -65.33 -40.64 93.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.53 ' N ' ' ND1' ' A' ' 67' ' ' HIS . 28.1 t70 -52.3 -29.99 26.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.491 ' CD2' ' HB2' ' A' ' 59' ' ' SER . 12.2 m95 -64.66 160.71 19.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.535 HG11 ' CE2' ' A' ' 58' ' ' TYR . 4.3 p -79.35 144.12 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.469 HG22 ' HD3' ' A' ' 73' ' ' PRO . 80.3 mt -100.51 106.11 18.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -107.87 84.85 2.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.469 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.8 Cg_endo -69.74 150.4 68.3 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.371 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.5 t -119.36 121.38 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.8 m -76.32 155.72 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.28 169.42 0.13 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -73.21 66.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -106.55 154.39 20.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.503 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 4.3 mt -124.61 8.04 8.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 t -131.46 138.25 48.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -132.89 148.03 52.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -112.07 97.81 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.417 HD13 ' CD2' ' A' ' 58' ' ' TYR . 72.4 mt -89.58 135.13 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -126.56 -179.85 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 62.14 44.7 7.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.2 mt -109.75 153.38 24.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.805 ' O ' HG21 ' A' ' 115' ' ' THR . 0.8 OUTLIER -78.43 146.47 34.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 mt -97.7 168.69 10.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.2 t70 47.66 39.34 9.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -145.73 129.75 8.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.528 0.68 . . . . 0.0 111.154 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 111.59 2.85 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.431 ' CZ ' HG22 ' A' ' 60' ' ' THR . 9.1 m-85 -107.37 150.29 26.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -114.77 125.1 53.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.475 ' CE2' HD11 ' A' ' 37' ' ' ILE . 56.2 m-85 -113.25 150.93 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -135.99 139.06 42.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.566 HD13 ' HB3' ' A' ' 41' ' ' TRP . 10.6 mt -122.49 141.99 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.478 ' NE2' ' HB3' ' A' ' 104' ' ' MET . 0.0 OUTLIER -156.98 146.34 20.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.453 ' N ' ' HG2' ' A' ' 97' ' ' GLN . . . -98.74 163.22 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -148.77 143.08 26.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 7.8 p-10 -127.85 -177.69 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.2 m -37.58 -40.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.415 ' HB2' HG12 ' A' ' 17' ' ' VAL . 7.1 mmpt? -65.29 -75.23 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -171.68 -154.76 10.19 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.478 ' HB3' ' NE2' ' A' ' 97' ' ' GLN . 33.5 mtm -95.69 165.73 12.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -109.31 -168.01 20.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 18' ' ' PRO . 54.0 Cg_endo -69.72 138.42 37.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.357 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 13.7 mmt -66.07 131.85 47.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.3 p -65.22 163.79 14.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.14 120.61 9.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -43.36 125.28 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.8 t -99.6 113.7 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -82.58 110.81 18.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -128.27 116.04 19.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -73.8 127.84 33.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.805 HG21 ' O ' ' A' ' 87' ' ' THR . 4.6 p -63.9 149.49 93.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.615 0.722 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.409 ' HZ3' ' HA ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -141.47 146.34 36.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.781 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.854 0.359 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 m -45.86 154.01 0.6 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.456 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 54.3 Cg_endo -69.75 106.59 1.69 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.1 p -85.12 22.44 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.9 m -135.5 139.37 31.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.687 0.756 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 168.03 22.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 178.09 4.93 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -137.3 -175.94 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 45.46 33.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.4 t -67.59 114.48 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.1 p -140.45 145.58 37.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.193 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 t -129.55 118.21 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -122.93 166.64 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.8 p -116.61 129.71 56.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 tptp -47.53 152.23 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -88.79 -25.4 22.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -98.25 1.03 58.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -159.18 113.41 1.57 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.537 0.684 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -28.1 25.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.257 . . . . 0.0 112.342 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -76.53 -21.65 55.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.5 m -91.52 146.37 23.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.595 ' CD1' ' CZ ' ' A' ' 94' ' ' PHE . 19.3 pt -146.12 150.92 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.78 138.93 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.0 t -123.09 111.56 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -103.1 152.95 20.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.644 ' CH2' HD11 ' A' ' 56' ' ' ILE . 37.8 p90 -165.43 -175.64 3.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.45 ' NE2' ' HD2' ' A' ' 43' ' ' PRO . 4.5 mm100 -140.03 159.97 62.22 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.547 0.689 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HD2' ' NE2' ' A' ' 42' ' ' GLN . 53.6 Cg_endo -69.83 159.73 52.28 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.645 2.23 . . . . 0.0 112.308 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 149.33 67.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.282 . . . . 0.0 112.357 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.2 t -67.11 -45.76 76.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -57.51 -63.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 37.71 51.11 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -41.5 -25.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -124.02 -154.38 8.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.517 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.75 126.0 54.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.591 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 25.9 mm -69.38 146.61 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.7 p -124.51 -34.57 2.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.33 176.08 39.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.441 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.591 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 78.9 m-85 -134.83 158.3 44.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.8 mt -135.22 129.18 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.644 HD11 ' CH2' ' A' ' 41' ' ' TRP . 89.5 mt -108.43 142.46 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -127.53 125.63 40.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.629 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 1.9 p90 -140.16 156.1 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -172.25 173.89 4.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.2 p -87.92 32.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -161.11 154.33 21.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.447 ' HB ' ' CE2' ' A' ' 93' ' ' TYR . 14.5 p -107.81 -23.93 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -97.27 -17.58 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.558 ' HB1' ' CG ' ' A' ' 68' ' ' ASP . . . -48.18 147.38 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 67' ' ' HIS . 10.6 mp0 -67.15 133.99 50.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.4 tp -39.16 -26.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.537 ' H ' ' CD2' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -55.15 -53.06 60.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.558 ' CG ' ' HB1' ' A' ' 64' ' ' ALA . 0.6 OUTLIER -62.21 -37.48 85.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.402 ' CD1' ' OD1' ' A' ' 68' ' ' ASP . 40.6 m95 -53.07 121.46 7.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.629 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 7.0 p -66.09 153.38 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.517 HG22 ' HD3' ' A' ' 73' ' ' PRO . 84.0 mt -106.54 114.02 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -115.31 86.51 14.65 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.672 0.749 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.517 ' HD3' HG22 ' A' ' 71' ' ' ILE . 54.0 Cg_endo -69.71 142.28 47.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.5 t -108.13 106.36 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 m -62.25 161.61 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.64 178.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.424 ' ND2' ' H ' ' A' ' 77' ' ' ASN . 2.0 p30 -80.92 57.13 2.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -102.23 139.94 37.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.512 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 8.9 mt -110.92 9.98 22.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -129.76 138.81 51.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -128.41 148.72 50.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -119.41 96.52 5.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 42.3 mt -92.47 139.65 17.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -128.76 -179.96 5.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 58.59 51.59 7.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 33.2 mt -109.77 146.37 35.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -73.01 131.8 42.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' ASP . 11.1 mt -81.87 177.76 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' LEU . 23.1 t0 36.27 45.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.563 HG23 ' HD2' ' A' ' 91' ' ' PRO . 97.0 m -148.7 136.24 10.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 111.134 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 90' ' ' THR . 53.1 Cg_endo -69.76 123.3 9.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.722 2.281 . . . . 0.0 112.309 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -123.83 126.63 46.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.447 ' CE2' ' HB ' ' A' ' 62' ' ' VAL . 5.5 m-85 -103.05 120.66 41.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.595 ' CZ ' ' CD1' ' A' ' 37' ' ' ILE . 51.4 m-85 -105.68 155.14 19.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -144.11 135.49 25.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 56.3 mt -108.61 147.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 2.6 tp-100 -145.85 132.39 19.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -103.1 123.75 47.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 100' ' ' ASN . 9.9 ttt180 -123.64 148.73 46.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.406 ' N ' ' HG3' ' A' ' 99' ' ' ARG . 13.9 p-10 -127.18 -175.71 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.4 t -44.79 -21.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -85.23 -75.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.09 -150.3 6.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 46.1 mtm -97.32 167.51 10.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.424 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -116.57 -154.72 10.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.456 ' CD ' ' O ' ' A' ' 18' ' ' PRO . 53.7 Cg_endo -69.73 142.0 46.87 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 36.4 mtt -84.18 135.94 34.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 91.7 p -71.23 170.95 11.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.49 126.13 30.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -37.92 120.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.045 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.1 t -96.28 105.05 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -81.63 109.82 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -125.68 119.06 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm-85 -75.75 131.79 40.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.9 p -73.53 148.77 88.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 111.131 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -140.49 157.86 44.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.84 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 16' ' ' LEU . 2.3 mm? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.4 m -52.25 153.04 5.33 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.729 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 96.89 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.8 p -79.78 6.26 11.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -118.97 141.25 29.86 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.699 0.762 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 169.56 18.59 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.732 2.288 . . . . 0.0 112.335 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -166.82 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -150.29 -179.64 7.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 44.65 48.6 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.0 t -77.21 116.08 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.3 p -136.68 142.02 43.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.476 HG13 HG22 ' A' ' 39' ' ' VAL . 22.6 t -131.33 106.84 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.1 m -105.72 -179.21 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -118.55 157.54 27.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 14.7 tptp -92.25 150.12 21.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 27.1 tt0 -90.55 -57.9 2.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.87 -16.3 3.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.05 119.64 2.76 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.552 0.691 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -35.55 12.47 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -77.72 10.32 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.5 m -119.48 144.58 46.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.494 HD11 ' CE2' ' A' ' 94' ' ' PHE . 9.9 pt -142.3 155.04 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.587 ' N ' HD12 ' A' ' 38' ' ' ILE . 3.7 mp -118.94 124.24 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.476 HG22 HG13 ' A' ' 27' ' ' VAL . 44.1 t -108.11 125.41 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -116.51 161.27 19.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.611 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 45.2 p90 -170.55 179.82 3.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -141.63 153.66 65.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 155.14 66.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.639 2.226 . . . . 0.0 112.31 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 140.13 42.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.242 . . . . 0.0 112.373 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -60.3 -32.46 71.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' ALA . 17.7 mt-10 -58.62 -57.19 14.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 35.87 52.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' ALA . 57.5 m-20 -35.65 -31.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -132.73 -104.14 0.89 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -145.5 176.05 9.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.812 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 41.6 mm -129.8 146.32 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.3 p -127.27 -28.91 2.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.521 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -165.46 -175.67 36.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.812 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 13.5 m-85 -146.86 175.38 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 110.921 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.574 HD11 ' HD3' ' A' ' 99' ' ' ARG . 22.1 mt -140.89 134.68 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.611 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 79.3 mt -113.83 130.78 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 3.5 m-85 -117.28 116.01 26.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.876 ' CE2' HG11 ' A' ' 70' ' ' VAL . 12.5 p90 -127.41 145.19 50.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.457 ' HB3' ' CD2' ' A' ' 69' ' ' TRP . 3.5 p -158.59 168.38 27.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.2 p -89.13 -14.8 35.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.423 ' O ' ' CZ2' ' A' ' 69' ' ' TRP . 0.5 OUTLIER -107.13 136.14 47.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.4 p -93.26 -10.49 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -109.62 -17.56 13.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.54 137.31 43.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -51.85 139.93 20.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 66' ' ' ILE . 8.1 tp -54.29 -18.74 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 67' ' ' HIS . 1.4 p-80 -78.69 -25.56 44.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -78.46 -29.28 46.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.457 ' CD2' ' HB3' ' A' ' 59' ' ' SER . 11.2 m0 -61.73 159.65 13.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.876 HG11 ' CE2' ' A' ' 58' ' ' TYR . 4.5 p -82.87 153.83 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.606 HG22 ' HD3' ' A' ' 73' ' ' PRO . 98.8 mt -108.49 116.04 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -114.09 84.32 8.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.606 ' HD3' HG22 ' A' ' 71' ' ' ILE . 54.1 Cg_endo -69.79 136.32 32.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.641 2.227 . . . . 0.0 112.395 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.8 t -104.33 121.01 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.2 m -77.67 169.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.82 -176.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -83.71 41.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -84.81 138.47 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.524 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 4.8 mt -111.01 10.71 22.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.5 t -136.04 146.04 46.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -136.77 164.86 27.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -129.18 109.75 11.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.9 mt -103.82 123.39 57.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -115.27 -176.23 2.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 62.51 38.84 12.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.4 mt -101.65 161.75 13.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.28 140.0 29.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.171 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 mt -84.88 172.41 11.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.1 t0 39.75 40.52 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.7 m -140.09 129.02 13.35 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 111.147 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 106.1 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -104.58 136.0 44.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -106.8 127.86 53.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.494 ' CE2' HD11 ' A' ' 37' ' ' ILE . 26.3 m-85 -116.84 154.72 30.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -141.02 135.58 31.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.591 HD13 ' HB3' ' A' ' 41' ' ' TRP . 9.8 mt -115.13 143.12 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.407 ' OE1' ' C ' ' A' ' 106' ' ' PRO . 22.4 tt0 -146.78 149.22 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.64 150.26 23.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.574 ' HD3' HD11 ' A' ' 55' ' ' ILE . 7.7 ptt180 -152.32 149.27 28.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.8 p30 -127.11 175.95 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -47.18 -27.49 1.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -73.43 -71.98 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -159.12 -153.51 6.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.454 ' SD ' ' CD1' ' A' ' 55' ' ' ILE . 46.5 mtm -115.78 158.58 22.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.62 -160.89 22.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.407 ' C ' ' OE1' ' A' ' 97' ' ' GLN . 53.4 Cg_endo -69.72 155.34 66.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.738 2.292 . . . . 0.0 112.321 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 7.1 mtt -98.39 145.49 26.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 t -77.51 167.86 20.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.7 pm0 -67.46 151.65 47.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.35 108.97 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.9 t -82.54 102.05 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -79.79 130.23 35.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 114' ' ' ARG . 32.5 t80 -147.36 127.28 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.429 ' O ' ' CE1' ' A' ' 113' ' ' PHE . 54.7 ttm-85 -80.86 146.17 30.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.2 p -88.76 147.26 38.78 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 111.177 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -163.82 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -139.12 151.68 46.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.828 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.3 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.839 0.352 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 m -47.23 152.03 1.15 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 101.53 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.73 2.286 . . . . 0.0 112.329 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 p -81.88 12.37 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -130.4 139.1 34.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 166.81 26.4 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 166.16 28.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.238 . . . . 0.0 112.381 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -116.65 -177.26 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 40.42 48.65 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.5 t -80.24 111.03 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.7 p -139.08 151.77 47.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.13 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.9 t -130.37 107.01 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 38' ' ' ILE . 28.8 m -104.11 177.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 m -116.72 150.95 37.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 17.2 tptp -85.63 149.55 25.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 38.1 tt0 -83.67 -67.14 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -39.04 -27.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -147.75 132.31 8.8 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.567 0.699 . . . . 0.0 110.918 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -51.99 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -59.08 -24.31 62.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 84' ' ' GLN . 97.3 m -80.31 135.86 36.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.1 pt -136.99 168.47 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.42 ' O ' HG22 ' A' ' 28' ' ' VAL . 5.3 mp -135.13 116.94 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.469 HG12 ' HE3' ' A' ' 41' ' ' TRP . 85.8 t -94.84 113.76 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.47 139.58 34.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.795 ' CH2' HD11 ' A' ' 56' ' ' ILE . 30.9 p90 -158.84 171.77 19.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -135.67 160.72 66.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 154.5 67.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 153.29 68.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.31 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.7 t -62.55 -49.77 73.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' ALA . 3.3 mm-40 -46.0 -55.59 6.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 35.85 51.81 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -76.18 52.2 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 156.15 153.92 6.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.511 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -64.53 119.78 11.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.746 0.308 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.633 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 14.0 mm -72.42 131.28 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.7 p -101.26 -39.8 7.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -171.03 178.61 43.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.633 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 38.3 m-85 -131.78 157.21 44.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.38 . . . . 0.0 110.881 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.2 mt -123.22 146.16 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.795 HD11 ' CH2' ' A' ' 41' ' ' TRP . 82.4 mt -126.39 132.02 70.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -119.52 128.7 54.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.662 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 2.5 p90 -142.29 137.3 30.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 t -158.34 140.22 13.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.0 p -49.26 -37.95 25.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.77 150.44 25.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.566 HG13 ' ND2' ' A' ' 63' ' ' ASN . 13.1 p -108.96 -21.94 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.566 ' ND2' HG13 ' A' ' 62' ' ' VAL . 55.1 m-80 -108.24 29.22 7.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.45 135.57 41.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -48.05 134.21 14.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.3 tp -45.55 -23.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -57.94 -44.34 86.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.98 -36.41 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -54.24 133.9 44.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.663 HG13 ' OE1' ' A' ' 72' ' ' GLU . 7.6 p -70.77 152.65 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.534 HG22 ' HD3' ' A' ' 73' ' ' PRO . 95.2 mt -105.44 113.04 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.663 ' OE1' HG13 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -108.54 84.59 2.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.642 0.734 . . . . 0.0 110.886 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.534 ' HD3' HG22 ' A' ' 71' ' ' ILE . 54.1 Cg_endo -69.76 134.06 27.07 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.386 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 43.4 t -100.52 138.1 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.6 m -105.61 170.64 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.52 35.53 66.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.448 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 77' ' ' ASN . 16.6 t30 40.45 36.94 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 29.8 ttt180 -73.66 144.12 45.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.542 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 82.0 mt -100.05 7.23 44.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.92 156.98 47.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -144.56 145.97 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -116.76 106.97 14.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 71.8 mt -101.12 131.15 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.405 ' HG2' HG23 ' A' ' 36' ' ' THR . 23.5 mt-30 -119.5 -179.57 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 62.05 35.91 15.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.3 mt -97.17 156.3 16.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.7 ' O ' HG21 ' A' ' 115' ' ' THR . 1.9 m -76.18 147.25 38.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 89' ' ' ASP . 28.0 mt -98.57 171.04 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 88' ' ' LEU . 35.9 t70 37.54 38.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.423 HG23 ' HD2' ' A' ' 91' ' ' PRO . 25.9 m -138.86 135.13 17.43 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.608 0.718 . . . . 0.0 111.153 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.423 ' HD2' HG23 ' A' ' 90' ' ' THR . 54.0 Cg_endo -69.74 123.98 10.64 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.249 . . . . 0.0 112.384 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -128.46 136.97 51.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.608 ' HB3' ' HB1' ' A' ' 110' ' ' ALA . 16.3 m-85 -106.62 126.6 52.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -111.37 158.77 18.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.468 ' NZ ' ' HB2' ' A' ' 110' ' ' ALA . 54.7 mttm -147.76 145.59 28.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.624 HD13 ' HB3' ' A' ' 41' ' ' TRP . 6.5 mt -126.16 147.48 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 33.1 tt0 -152.41 149.84 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 97' ' ' GLN . . . -105.64 152.09 23.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -151.47 137.17 17.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 101' ' ' SER . 34.3 p30 -123.34 -177.66 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 100' ' ' ASN . 67.4 m -36.34 -45.44 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -62.9 -70.38 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -174.02 -151.41 8.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.438 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.87 173.95 6.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.48 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -119.21 -154.66 9.61 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 154.28 67.81 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 8.8 mmt -94.12 133.68 37.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.2 p -74.09 163.44 27.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -56.42 165.26 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.608 ' HB1' ' HB3' ' A' ' 93' ' ' TYR . . . -87.16 113.11 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.96 106.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -78.93 102.38 8.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -117.2 110.97 18.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -71.07 122.19 19.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.7 HG21 ' O ' ' A' ' 87' ' ' THR . 19.2 p -58.38 145.12 76.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.52 0.676 . . . . 0.0 111.182 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -163.87 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.707 2.272 . . . . 0.0 112.303 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.37 148.71 47.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.839 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.887 0.375 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.3 m -58.36 150.76 52.56 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.67 0.748 . . . . 0.0 111.14 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 101.73 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -86.59 22.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.3 p -138.5 143.48 38.54 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.671 0.748 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 161.41 46.03 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 179.32 3.73 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -130.93 178.27 6.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t70 53.32 34.33 17.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.516 HG11 HG21 ' A' ' 111' ' ' VAL . 67.6 t -73.13 117.36 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.6 p -136.97 146.66 45.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 39' ' ' VAL . 60.0 t -130.08 109.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.187 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 m -119.01 170.13 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.9 m -94.76 167.3 11.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -91.55 150.11 21.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -80.38 107.25 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.39 -46.97 1.08 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -114.46 123.24 32.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.55 0.69 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -46.35 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.724 2.283 . . . . 0.0 112.378 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -55.23 -43.39 74.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 m -71.56 129.93 39.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.42 HD11 ' CE2' ' A' ' 94' ' ' PHE . 8.0 pt -135.71 159.89 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.436 ' N ' HD12 ' A' ' 38' ' ' ILE . 5.0 mp -121.6 128.62 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 27' ' ' VAL . 71.3 t -115.92 102.15 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -92.39 155.87 17.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.558 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 21.8 p90 -166.66 -176.6 3.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -147.78 159.09 41.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 149.55 66.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 149.4 66.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.282 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' GLU . 6.5 t -53.55 -53.01 57.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ALA . 64.8 mm-40 -36.04 -53.99 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 34.21 52.31 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -75.82 48.92 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 155.25 171.84 22.28 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -85.23 113.23 21.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.74 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 35.1 mm -67.17 140.66 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.9 p -111.1 -36.81 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -164.0 -164.17 18.57 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.74 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 10.8 m-85 -154.34 143.75 21.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.962 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.473 ' CG2' ' CZ ' ' A' ' 57' ' ' TYR . 59.1 mt -112.16 137.52 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.558 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 83.9 mt -113.83 137.73 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.473 ' CZ ' ' CG2' ' A' ' 55' ' ' ILE . 9.0 m-85 -125.68 125.78 43.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.553 ' CE2' HG11 ' A' ' 70' ' ' VAL . 3.8 p90 -140.44 143.51 35.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -163.56 156.52 18.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.9 p -78.02 0.95 22.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.515 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 16.4 t0 -119.93 119.93 34.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.804 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.16 -32.21 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -90.12 14.15 13.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.515 ' HB2' ' HB3' ' A' ' 61' ' ' ASP . . . -85.26 143.32 28.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.07 134.77 56.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.0 tp -42.89 -35.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.646 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.5 p-80 -62.58 -40.38 96.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.646 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 9.9 t0 -62.31 -33.4 74.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -59.31 134.31 56.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.553 HG11 ' CE2' ' A' ' 58' ' ' TYR . 3.3 p -59.89 149.46 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.622 HG22 ' HD3' ' A' ' 73' ' ' PRO . 89.9 mt -106.08 116.01 48.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.19 85.4 18.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.622 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.85 140.24 41.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.558 HG11 ' HB3' ' A' ' 78' ' ' ARG . 96.2 t -109.66 137.58 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -104.84 162.89 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.83 34.98 91.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 37.19 54.6 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.558 ' HB3' HG11 ' A' ' 74' ' ' VAL . 2.2 tpt180 -85.17 137.76 32.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 90.9 mt -93.46 4.11 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.6 t -138.88 148.25 43.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -140.61 140.02 35.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -104.88 132.04 51.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 71.9 mt -131.79 126.13 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -126.09 -177.28 3.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 64.15 49.94 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 mt -119.05 171.27 8.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.22 154.53 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.7 mt -104.66 162.78 12.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.8 t70 47.93 45.14 18.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.43 HG23 ' HD2' ' A' ' 91' ' ' PRO . 99.9 m -143.06 133.18 12.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.6 0.714 . . . . 0.0 111.115 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 90' ' ' THR . 53.5 Cg_endo -69.79 101.15 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -103.01 138.91 39.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.426 ' CE2' ' OE1' ' A' ' 112' ' ' GLN . 15.5 m-85 -109.07 136.96 47.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 37' ' ' ILE . 60.9 m-85 -122.13 160.13 25.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -145.75 149.9 35.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.557 HD13 ' HB3' ' A' ' 41' ' ' TRP . 11.0 mt -129.35 142.63 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 34.5 tt0 -139.08 148.04 42.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -116.12 140.72 49.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.545 ' NH2' ' N ' ' A' ' 54' ' ' TYR . 0.9 OUTLIER -138.52 150.48 46.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.872 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 102' ' ' LYS . 35.7 p30 -120.17 174.84 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.7 t -41.19 -24.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.8 OUTLIER -79.96 -71.93 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -165.07 -166.07 23.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.44 167.52 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.479 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -107.89 -158.19 20.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -164.15 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.249 . . . . 0.0 112.381 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 20.7 mmt -117.2 139.67 50.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 109' ' ' GLU . 5.1 t -76.38 177.2 7.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.434 ' N ' ' OG ' ' A' ' 108' ' ' SER . 17.1 mt-10 -76.15 136.36 39.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.9 113.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.516 HG21 HG11 ' A' ' 25' ' ' VAL . 85.7 t -87.27 102.9 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.426 ' OE1' ' CE2' ' A' ' 93' ' ' TYR . 22.6 tt0 -77.67 120.95 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -134.99 118.86 17.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -71.7 125.93 28.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 18.6 p -67.47 151.46 97.14 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.715 . . . . 0.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.268 . . . . 0.0 112.37 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.52 151.13 41.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 m -56.48 147.22 50.6 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.569 0.7 . . . . 0.0 111.185 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 108.2 2.02 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -88.51 15.76 7.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.2 t -122.04 136.27 26.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.694 0.759 . . . . 0.0 110.838 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 166.69 26.72 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.714 2.276 . . . . 0.0 112.365 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 164.74 33.35 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.27 . . . . 0.0 112.348 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -127.02 177.38 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 51.91 42.45 30.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.625 HG11 HG21 ' A' ' 111' ' ' VAL . 54.3 t -72.55 107.6 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 p -127.88 139.61 52.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.599 HG13 HG22 ' A' ' 39' ' ' VAL . 25.5 t -129.99 113.25 25.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.77 168.81 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 t -108.89 144.68 36.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.799 ' HE2' HG21 ' A' ' 36' ' ' THR . 0.3 OUTLIER -55.34 151.85 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 27.3 tt0 -87.26 81.33 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 133.41 -25.05 3.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.11 111.26 26.79 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.531 0.681 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.442 ' CB ' ' HG2' ' A' ' 116' ' ' PRO . 53.9 Cg_endo -69.76 -40.88 4.8 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.64 2.227 . . . . 0.0 112.381 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -60.2 -16.34 32.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.799 HG21 ' HE2' ' A' ' 30' ' ' LYS . 76.6 m -106.29 136.12 46.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.49 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 23.0 pt -142.18 144.3 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 38' ' ' ILE . 4.4 mp -107.63 140.95 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.599 HG22 HG13 ' A' ' 27' ' ' VAL . 84.8 t -125.23 105.17 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -99.56 121.64 41.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.554 ' CE3' ' O ' ' A' ' 79' ' ' LEU . 42.2 p90 -129.65 179.12 6.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -134.44 154.75 79.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.606 0.717 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 153.23 69.44 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.721 2.28 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 150.05 67.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.0 t -63.16 -37.27 86.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -89.9 65.94 6.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -57.45 -45.07 85.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.08 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 40.21 25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . 167.33 155.36 9.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 tttp -72.55 110.45 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.781 0.324 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.682 HD13 ' OD1' ' A' ' 100' ' ' ASN . 17.3 mm -66.15 110.34 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.0 p -75.07 -41.91 57.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.627 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -167.23 -154.04 8.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.63 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 2.3 m-85 -156.78 158.85 37.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.838 0.352 . . . . 0.0 110.925 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.8 mt -128.78 143.19 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 62.1 mt -117.22 135.67 56.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -123.91 130.83 53.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.707 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 13.0 p90 -147.71 157.53 43.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 t -167.65 167.73 13.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.6 p -84.6 32.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 62' ' ' VAL . 27.2 t0 -169.88 152.21 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.487 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 5.6 p -103.09 -7.4 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -100.25 -16.66 17.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.27 142.11 13.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.9 OUTLIER -60.24 131.71 51.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' GLU . 10.7 tp -37.21 -34.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.693 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.1 p-80 -66.15 -45.07 82.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.693 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 18.9 m-20 -56.21 -30.76 62.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.524 ' CZ3' ' HE2' ' A' ' 95' ' ' LYS . 22.3 m95 -62.11 136.06 57.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.707 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 11.8 p -68.85 151.25 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.441 ' C ' ' OE1' ' A' ' 72' ' ' GLU . 65.3 mt -108.92 113.09 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.534 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -107.51 85.46 2.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.89 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 121.41 8.1 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.359 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.5 t -95.16 125.28 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.1 m -78.07 164.63 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.53 -177.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -86.41 42.38 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -84.74 135.07 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.554 ' O ' ' CE3' ' A' ' 41' ' ' TRP . 4.7 mt -105.47 8.81 33.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -126.81 139.67 52.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -134.2 142.66 47.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -114.98 105.54 13.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.5 mt -100.17 132.46 45.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.408 ' HG2' HG23 ' A' ' 36' ' ' THR . 5.3 mt-30 -123.78 -175.28 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 58.71 31.46 21.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.8 mt -92.09 159.59 15.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.547 ' O ' HG21 ' A' ' 115' ' ' THR . 1.1 m -77.79 167.52 21.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.485 ' H ' HG22 ' A' ' 87' ' ' THR . 6.1 mt -121.12 168.21 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.6 t70 47.14 33.99 2.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.812 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 94.0 m -142.59 131.43 11.77 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 121.46 8.16 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.368 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -119.42 130.84 55.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -101.3 125.09 47.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.49 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 65.1 m-85 -109.73 153.09 24.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.524 ' HE2' ' CZ3' ' A' ' 69' ' ' TRP . 25.8 mtmt -137.54 139.31 40.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.422 HD13 ' HB3' ' A' ' 41' ' ' TRP . 12.9 mt -118.85 140.36 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -145.11 142.01 29.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -104.21 141.75 35.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.441 ' CB ' ' HG2' ' A' ' 104' ' ' MET . 19.0 ptt180 -144.91 148.63 34.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.682 ' OD1' HD13 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -122.71 -177.63 3.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.9 t -45.14 -42.04 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -60.26 -71.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -161.11 -152.16 6.51 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.441 ' HG2' ' CB ' ' A' ' 99' ' ' ARG . 33.1 mtm -112.04 159.63 18.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.29 -167.01 22.95 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.3 47.59 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.732 2.288 . . . . 0.0 112.311 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -77.25 154.2 33.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 109' ' ' GLU . 9.3 t -82.75 175.73 9.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.416 ' N ' ' OG ' ' A' ' 108' ' ' SER . 31.4 mm-40 -74.67 145.62 43.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.02 117.24 3.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.625 HG21 HG11 ' A' ' 25' ' ' VAL . 94.3 t -95.1 108.29 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -77.73 121.69 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -138.95 110.56 7.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -71.69 135.7 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.547 HG21 ' O ' ' A' ' 87' ' ' THR . 2.8 p -76.68 143.41 71.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.564 0.697 . . . . 0.0 111.114 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.442 ' HG2' ' CB ' ' A' ' 34' ' ' PRO . 53.6 Cg_endo -69.76 -163.66 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.411 ' HA ' ' CE ' ' A' ' 117' ' ' LYS . 5.1 mmpt? -136.89 163.42 30.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.849 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.869 0.366 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -52.24 153.86 4.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.686 0.755 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.474 ' HD3' ' ND2' ' A' ' 100' ' ' ASN . 53.3 Cg_endo -69.81 94.95 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.4 t -86.89 25.14 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.6 t -128.12 139.77 36.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.655 0.74 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 159.85 51.9 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.644 2.229 . . . . 0.0 112.384 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 171.53 14.23 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.401 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -125.59 -178.78 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 47.16 36.16 4.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.475 HG13 HD12 ' A' ' 96' ' ' ILE . 92.9 t -69.51 110.01 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.6 p -138.59 150.02 45.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.402 ' CG2' HG11 ' A' ' 111' ' ' VAL . 84.8 t -132.68 111.86 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 38' ' ' ILE . 17.4 m -104.96 -177.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 t -126.79 153.38 45.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -94.62 109.8 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -58.12 -39.29 78.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.33 -18.26 74.98 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.418 ' CE ' ' HB2' ' A' ' 35' ' ' LYS . 12.7 tptm -146.72 106.41 4.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.596 0.712 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -23.5 30.6 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HB2' ' CE ' ' A' ' 33' ' ' LYS . 62.7 mttm -87.35 3.28 47.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.1 m -127.47 153.6 46.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.538 HD11 ' CE2' ' A' ' 94' ' ' PHE . 8.5 pt -143.31 164.14 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.483 ' N ' HD12 ' A' ' 38' ' ' ILE . 4.6 mp -125.97 122.85 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.9 t -103.83 118.68 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.3 OUTLIER -107.08 146.7 30.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.546 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 28.7 p90 -163.23 -176.32 4.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -147.96 161.4 34.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.566 0.698 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.36 66.99 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.713 2.275 . . . . 0.0 112.345 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 158.3 57.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.395 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.9 t -69.78 -37.24 76.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.66 72.87 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -85.39 53.78 2.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -38.03 -28.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -138.5 147.5 19.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 tttm -53.4 138.45 33.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.442 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 24.0 mm -90.38 144.2 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.2 p -120.91 -30.1 4.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.8 -166.01 31.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.442 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 64.7 m-85 -148.34 163.69 36.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.686 HD11 ' HD3' ' A' ' 99' ' ' ARG . 28.2 mt -126.86 131.08 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 73.9 mt -109.42 140.12 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -126.29 123.5 38.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.537 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 1.8 p90 -139.08 150.3 45.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.6 t -170.65 164.0 8.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 78.9 p -87.65 45.86 1.32 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.486 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 2.7 m-20 -172.61 128.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.4 p -86.04 -36.55 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -90.28 25.21 2.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.486 ' HB2' ' HB3' ' A' ' 61' ' ' ASP . . . -94.89 132.36 39.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.477 ' HB2' ' CE1' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -47.66 131.68 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tp -43.81 -26.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.668 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.4 p-80 -65.56 -41.58 92.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.668 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 5.8 m-20 -64.94 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.453 ' CH2' ' HE3' ' A' ' 95' ' ' LYS . 16.2 m95 -62.86 143.01 58.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.537 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 5.2 p -76.34 153.03 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.405 HG22 ' HD3' ' A' ' 73' ' ' PRO . 78.7 mt -109.31 106.96 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -108.3 87.36 4.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD3' HG22 ' A' ' 71' ' ' ILE . 54.0 Cg_endo -69.81 140.63 42.97 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.7 t -105.62 119.41 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -76.46 169.45 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.88 -171.39 0.13 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -91.54 43.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -85.78 141.51 29.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 13.8 mt -112.51 8.48 19.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.4 t -132.26 136.98 47.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -125.58 147.17 49.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -117.39 105.12 11.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.5 mt -100.9 125.23 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -114.0 -175.07 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.422 ' N ' ' CD ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER 60.5 44.7 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.4 mt -111.47 140.41 46.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.515 ' CG2' ' HB ' ' A' ' 90' ' ' THR . 0.6 OUTLIER -61.76 175.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.476 ' N ' HG23 ' A' ' 87' ' ' THR . 14.4 mt -111.05 165.58 11.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 88' ' ' LEU . 28.2 t0 35.82 54.97 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.515 ' HB ' ' CG2' ' A' ' 87' ' ' THR . 19.1 m -141.31 129.44 12.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.582 0.706 . . . . 0.0 111.154 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 109.32 2.28 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.743 2.295 . . . . 0.0 112.343 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.428 ' HE1' HG22 ' A' ' 87' ' ' THR . 9.1 m-85 -108.17 144.09 36.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -120.01 116.29 25.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.962 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.538 ' CE2' HD11 ' A' ' 37' ' ' ILE . 9.8 m-85 -107.61 156.91 18.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.453 ' HE3' ' CH2' ' A' ' 69' ' ' TRP . 12.9 mttp -141.49 128.11 20.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.475 HD12 HG13 ' A' ' 25' ' ' VAL . 30.7 mt -105.31 146.04 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 19.7 tt0 -146.3 141.51 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -103.33 132.05 49.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.686 ' HD3' HD11 ' A' ' 55' ' ' ILE . 6.9 ptt180 -139.96 149.51 43.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.474 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 18.0 p30 -119.09 -177.6 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -54.77 -20.98 9.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -79.2 -72.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.75 -163.99 11.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.49 ' SD ' ' CD1' ' A' ' 55' ' ' ILE . 66.4 mtm -112.87 145.14 41.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.429 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -90.57 -170.7 43.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 165.27 31.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.375 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 28.4 mtt -98.46 141.62 31.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.3 p -76.62 168.64 19.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -57.54 149.02 22.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.38 114.2 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.402 HG11 ' CG2' ' A' ' 27' ' ' VAL . 75.6 t -83.17 109.28 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.142 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -88.56 117.12 27.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -140.2 122.58 16.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -78.81 144.79 34.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.3 p -79.12 152.17 76.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.581 0.705 . . . . 0.0 111.151 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -163.95 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.334 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -136.59 161.05 36.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.859 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.507 HD22 ' N ' ' A' ' 16' ' ' LEU . 2.6 mm? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.4 m -53.68 152.71 9.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 111.118 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 96.5 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -81.41 14.32 2.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 p -122.48 139.44 30.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 164.58 34.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.266 . . . . 0.0 112.341 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -172.2 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.625 2.217 . . . . 0.0 112.364 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -148.45 168.82 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 60.46 39.38 18.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.415 HG22 HD12 ' A' ' 96' ' ' ILE . 55.7 t -74.8 109.92 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.6 p -130.74 147.72 52.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.07 107.3 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.443 HG23 ' HB ' ' A' ' 38' ' ' ILE . 13.0 m -109.19 163.85 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.6 p -90.3 171.4 9.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HB2' HG22 ' A' ' 36' ' ' THR . 13.4 tptm -97.78 145.48 26.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 11.7 tp10 -80.81 107.74 13.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 117.4 -42.1 1.93 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HE2' ' CD ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -125.93 125.08 24.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 110.9 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -52.12 0.35 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.746 2.297 . . . . 0.0 112.325 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.476 ' CD ' ' HE2' ' A' ' 33' ' ' LYS . 51.4 mttt -46.73 -38.5 10.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.526 HG22 ' HB2' ' A' ' 30' ' ' LYS . 74.9 m -78.7 128.88 34.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.408 HD11 ' CE2' ' A' ' 94' ' ' PHE . 10.8 pt -137.13 147.73 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.443 ' HB ' HG23 ' A' ' 28' ' ' VAL . 4.9 mp -105.89 121.66 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.2 t -102.25 102.97 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.87 153.49 17.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.742 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 19.1 p90 -169.34 179.95 3.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -143.65 154.52 59.62 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.613 0.72 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 160.24 50.43 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.273 . . . . 0.0 112.34 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 141.96 46.66 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.716 2.278 . . . . 0.0 112.328 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -57.1 -34.35 68.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -87.47 72.43 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -80.2 60.02 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ALA . 92.4 m-20 -35.31 -33.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -128.58 -126.97 2.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -138.81 120.16 14.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.32 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.466 HG21 ' CE2' ' A' ' 54' ' ' TYR . 11.1 mm -78.15 119.42 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.03 2.63 5.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.6 137.68 5.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.466 ' CE2' HG21 ' A' ' 51' ' ' ILE . 26.0 m-85 -123.54 157.06 34.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.925 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.501 ' CD1' ' SD ' ' A' ' 104' ' ' MET . 11.2 mt -136.12 133.01 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.742 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 93.2 mt -115.86 126.19 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -111.83 124.52 52.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.546 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 2.2 p90 -138.18 149.8 46.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -170.12 174.24 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.8 p -96.57 36.65 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.471 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 2.9 m-20 -158.85 127.37 5.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.426 ' HB ' ' CE2' ' A' ' 93' ' ' TYR . 2.8 p -89.18 -31.56 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -95.92 27.79 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.471 ' HB2' ' HB3' ' A' ' 61' ' ' ASP . . . -101.92 142.53 33.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.555 ' OE1' ' CE1' ' A' ' 67' ' ' HIS . 47.8 mt-10 -61.66 137.94 58.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.4 tp -42.01 -26.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.555 ' CE1' ' OE1' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -56.71 -46.61 81.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -65.96 -33.7 76.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.806 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -61.69 138.83 58.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.546 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 8.1 p -76.61 153.56 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.418 HG22 ' HD3' ' A' ' 73' ' ' PRO . 55.4 mt -107.62 110.4 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -109.87 85.4 4.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.665 0.745 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.418 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.6 Cg_endo -69.81 125.79 12.53 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 38.3 t -90.52 148.04 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.0 m -107.31 171.18 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.66 38.16 14.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.523 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.1 p30 39.66 36.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.445 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 30.4 ttt180 -69.32 136.66 52.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.538 ' O ' ' CE3' ' A' ' 41' ' ' TRP . 40.8 mt -92.17 -3.18 55.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.7 t -127.53 139.53 52.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -132.92 133.7 43.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.43 ' N ' ' OE1' ' A' ' 82' ' ' GLN . 7.4 mp0 -97.12 119.37 35.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.7 mt -114.73 121.59 67.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -118.06 -175.66 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 59.79 33.4 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 86' ' ' LEU . 17.6 mt -93.96 164.36 13.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.55 ' O ' HG21 ' A' ' 115' ' ' THR . 12.6 m -88.39 140.87 29.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.471 HD21 ' HG3' ' A' ' 35' ' ' LYS . 10.6 mt -90.2 163.57 14.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 28.2 t70 49.15 44.22 22.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.9 m -148.72 125.74 5.49 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.562 0.696 . . . . 0.0 111.141 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 108.91 2.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -108.06 124.85 50.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.426 ' CE2' ' HB ' ' A' ' 62' ' ' VAL . 1.9 m-85 -87.6 126.23 34.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.408 ' CE2' HD11 ' A' ' 37' ' ' ILE . 77.0 m-85 -112.48 146.37 38.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.435 ' HZ1' ' HB2' ' A' ' 110' ' ' ALA . 24.1 mttm -135.06 151.32 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.532 HD13 ' HB3' ' A' ' 41' ' ' TRP . 19.7 mt -132.32 145.52 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -143.44 154.58 43.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.86 129.38 56.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -133.84 143.62 48.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -124.84 177.42 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.8 m -47.51 -21.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 3.6 mptt -81.0 -62.57 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -172.88 -151.29 7.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.501 ' SD ' ' CD1' ' A' ' 55' ' ' ILE . 5.5 mtm -123.19 158.55 30.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.84 -162.63 24.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 151.58 69.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -75.11 150.38 38.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.0 p -87.03 173.73 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -70.3 143.13 52.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.435 ' HB2' ' HZ1' ' A' ' 95' ' ' LYS . . . -68.84 120.81 15.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.5 t -96.27 107.35 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -78.15 100.72 6.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -110.67 115.55 29.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -72.29 120.07 17.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.55 HG21 ' O ' ' A' ' 87' ' ' THR . 19.4 p -60.07 146.44 82.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 111.103 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -163.62 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.295 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -140.75 161.82 36.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.803 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.838 0.351 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 m -41.24 154.2 0.23 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 0.0 111.124 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.444 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 53.4 Cg_endo -69.77 100.03 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.3 t -84.35 26.36 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.8 t -131.67 136.53 28.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 157.49 60.14 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.302 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HG3' HG22 ' A' ' 96' ' ' ILE . 53.4 Cg_endo -69.83 156.18 63.81 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.649 2.233 . . . . 0.0 112.35 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -116.98 173.97 6.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.2 t0 60.7 33.51 20.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.479 HG13 HD12 ' A' ' 96' ' ' ILE . 96.9 t -69.32 116.02 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -142.81 139.77 31.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.535 HG22 HG22 ' A' ' 39' ' ' VAL . 94.2 t -127.8 111.04 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.7 m -109.49 179.58 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.0 p -119.59 147.33 44.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HB2' HD11 ' A' ' 38' ' ' ILE . 26.6 tttm -91.57 133.95 35.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 32' ' ' GLY . 52.5 tt0 -73.47 -66.64 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' GLU . . . -37.51 -35.51 0.2 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.5 ' CE ' ' HB2' ' A' ' 35' ' ' LYS . 1.3 tmtm? -141.91 118.91 7.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.594 0.711 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -39.29 6.53 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.317 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.5 ' HB2' ' CE ' ' A' ' 33' ' ' LYS . 40.1 mttp -68.0 -2.35 7.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.0 m -114.2 138.53 50.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 94' ' ' PHE . 7.5 pt -135.41 159.25 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.727 ' N ' HD12 ' A' ' 38' ' ' ILE . 2.1 mp -121.5 137.04 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.535 HG22 HG22 ' A' ' 27' ' ' VAL . 91.1 t -127.35 116.14 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -103.07 158.16 16.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.602 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 27.1 p90 -170.29 178.2 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -138.72 159.38 67.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.9 66.31 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 139.21 39.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.715 2.277 . . . . 0.0 112.377 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.2 t -60.46 -39.3 87.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -87.51 77.2 8.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -106.35 68.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 47' ' ' ALA . 11.5 m-80 -35.2 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -118.22 -152.16 9.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.437 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -114.11 137.86 51.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.755 0.312 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.9 mm -85.71 142.22 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.0 p -129.4 -31.2 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.2 179.2 38.53 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -140.47 167.93 21.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.351 . . . . 0.0 110.925 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.495 ' CG2' ' CZ ' ' A' ' 57' ' ' TYR . 61.7 mt -138.41 124.72 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.098 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.602 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 97.9 mt -104.91 140.32 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.495 ' CZ ' ' CG2' ' A' ' 55' ' ' ILE . 11.0 m-85 -125.54 129.81 50.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.537 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 3.0 p90 -144.1 141.07 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.0 t -157.95 146.54 19.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.825 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.9 p -53.68 -31.92 49.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -98.39 144.06 28.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.93 -16.58 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.071 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.53 -16.65 22.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.99 151.55 6.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' HIS . 31.3 mt-10 -74.41 136.92 42.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 65' ' ' GLU . 7.6 tp -36.12 -32.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' GLU . 2.3 m170 -54.68 -49.04 71.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.97 -36.21 83.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.503 ' CZ3' ' HE2' ' A' ' 95' ' ' LYS . 30.9 m95 -55.55 132.5 48.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.537 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 8.4 p -67.17 155.67 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.447 HG22 ' HD3' ' A' ' 73' ' ' PRO . 91.5 mt -110.55 109.58 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -108.07 86.18 3.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.617 0.722 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.447 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.7 Cg_endo -69.79 133.24 25.04 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.0 t -105.75 106.28 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.5 m -55.47 170.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.92 -165.5 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' ARG . 13.8 t30 -91.3 8.22 37.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' ASN . 8.2 ttm-85 -37.17 150.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.428 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 38.0 mt -120.19 6.23 10.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 t -135.57 150.14 49.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -137.94 146.76 43.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -117.54 96.47 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.408 HD13 ' CD2' ' A' ' 58' ' ' TYR . 64.3 mt -88.35 118.22 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -108.44 -177.93 3.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 59.78 41.54 18.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.1 mt -102.1 163.37 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.542 ' O ' HG21 ' A' ' 115' ' ' THR . 24.0 m -83.12 158.06 22.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.462 ' N ' HG22 ' A' ' 87' ' ' THR . 29.3 mt -104.76 161.05 14.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.432 ' HB2' ' NZ ' ' A' ' 117' ' ' LYS . 33.2 t70 43.4 46.0 5.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.6 m -142.6 130.74 11.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.571 0.7 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 107.18 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.724 2.283 . . . . 0.0 112.35 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -107.49 140.22 40.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -107.97 122.4 46.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.953 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.543 ' CZ ' ' CD1' ' A' ' 37' ' ' ILE . 82.3 m-85 -109.48 154.6 22.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.503 ' HE2' ' CZ3' ' A' ' 69' ' ' TRP . 26.1 mtmt -143.63 139.02 29.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.479 HD12 HG13 ' A' ' 25' ' ' VAL . 19.6 mt -111.55 146.34 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.436 ' CD ' ' HB3' ' A' ' 104' ' ' MET . 36.9 tt0 -153.07 140.58 19.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.57 156.7 17.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -153.66 148.94 27.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.6 p30 -128.04 -179.12 4.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.2 m -44.95 -23.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.89 -75.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -162.18 -158.95 9.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.436 ' HB3' ' CD ' ' A' ' 97' ' ' GLN . 19.4 mtm -96.11 173.48 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -117.41 -149.72 9.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.444 ' CD ' ' O ' ' A' ' 18' ' ' PRO . 53.4 Cg_endo -69.76 172.8 11.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 10.4 mtt -119.85 131.74 55.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 98.7 p -71.71 167.54 19.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.813 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -67.7 140.59 56.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.75 108.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.8 t -84.55 106.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -81.0 117.11 21.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -129.36 133.54 47.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -85.74 138.3 32.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.542 HG21 ' O ' ' A' ' 87' ' ' THR . 9.6 p -81.03 148.65 64.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 111.118 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -163.74 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 89' ' ' ASP . 5.8 mmpt? -137.5 152.15 49.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.77 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.851 0.357 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.4 m -47.31 153.6 0.92 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.618 0.723 . . . . 0.0 111.17 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 104.49 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.5 t -85.79 24.88 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 t -132.37 138.27 31.83 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.728 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 167.45 24.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.719 2.279 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 179.41 3.74 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.296 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.63 -179.94 6.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.7 t0 48.26 43.53 19.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.459 HG22 HD12 ' A' ' 96' ' ' ILE . 49.7 t -73.41 117.98 18.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 p -139.15 141.84 38.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.4 t -130.89 113.96 25.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.0 m -122.8 165.58 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.4 p -93.44 158.52 15.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.519 ' HB2' HD11 ' A' ' 38' ' ' ILE . 22.3 tttm -90.08 138.96 31.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -75.53 114.25 13.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.73 -45.53 1.28 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.83 117.46 28.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.596 0.712 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -51.82 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -48.72 -23.0 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.413 HG21 ' HD3' ' A' ' 30' ' ' LYS . 89.1 m -93.57 141.06 28.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.089 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.498 ' C ' HD12 ' A' ' 38' ' ' ILE . 7.2 pt -144.05 157.6 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.641 ' N ' HD12 ' A' ' 38' ' ' ILE . 3.3 mp -118.9 135.18 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 82.6 t -124.09 108.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -99.41 157.54 16.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.509 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 36.3 p90 -161.17 179.66 8.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -139.13 152.73 70.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 150.94 68.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 143.91 52.54 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.353 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.3 m -62.84 -23.68 67.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -102.43 73.82 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.31 64.47 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -38.61 -35.75 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -113.83 -173.62 18.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -93.71 137.81 32.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.716 0.294 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.419 HG21 ' OH ' ' A' ' 54' ' ' TYR . 10.1 mm -79.31 138.81 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.172 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.2 p -123.01 -36.7 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.63 -176.9 36.02 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.419 ' OH ' HG21 ' A' ' 51' ' ' ILE . 82.7 m-85 -140.22 169.64 17.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 0.0 110.861 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.582 HD11 ' HD3' ' A' ' 99' ' ' ARG . 52.5 mt -138.57 136.15 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.135 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.509 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 95.0 mt -117.53 132.5 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 3.0 m-85 -118.69 121.58 40.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.707 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 5.7 p90 -135.53 137.6 42.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.1 t -156.03 151.94 27.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.3 p -62.15 -29.12 70.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -93.34 151.26 19.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.3 p -109.35 -20.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -99.22 -15.09 19.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.24 142.52 42.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -61.26 136.13 57.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.8 tp -42.04 -27.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -54.49 -46.61 73.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.24 -34.36 76.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -55.94 126.84 27.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.707 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 8.7 p -60.47 153.06 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 53.3 mt -110.04 112.11 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -107.19 84.54 1.72 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.58 0.705 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 133.4 25.38 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.313 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.529 HG11 ' HB3' ' A' ' 78' ' ' ARG . 22.5 t -114.36 150.33 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.0 m -122.68 -176.31 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 78' ' ' ARG . . . 56.31 41.6 87.5 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 76' ' ' GLY . 25.2 p30 36.95 31.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.529 ' HB3' HG11 ' A' ' 74' ' ' VAL . 3.7 tpt85 -65.07 134.93 54.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.466 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 64.1 mt -100.76 2.67 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 t -138.41 146.82 42.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -132.13 136.81 47.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -104.58 101.71 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.8 mt -96.26 143.45 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.11 -178.77 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 62.51 47.83 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.8 mt -112.99 165.72 12.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.727 ' O ' HG21 ' A' ' 115' ' ' THR . 1.3 m -85.56 150.57 24.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mt -99.41 172.79 7.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.1 t0 44.82 32.2 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.5 m -141.02 123.78 9.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 111.187 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.78 3.49 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.331 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -105.59 139.98 39.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -103.68 125.4 50.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -111.84 170.35 8.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -152.79 140.6 20.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' A' ' 41' ' ' TRP . 16.9 mt -118.56 150.2 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -159.62 149.41 18.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -110.48 146.47 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.582 ' HD3' HD11 ' A' ' 55' ' ' ILE . 6.8 ptt180 -150.94 151.87 32.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 101' ' ' SER . 34.0 p30 -124.6 172.96 8.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 100' ' ' ASN . 50.2 m -36.18 -36.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -65.64 -74.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -163.08 -165.16 19.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.463 ' HA ' ' CB ' ' A' ' 99' ' ' ARG . 0.9 OUTLIER -100.58 160.34 14.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.45 -156.4 21.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 152.01 69.1 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 18.3 mtt -91.2 154.61 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 109' ' ' GLU . 6.3 t -93.75 177.5 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.439 ' N ' ' OG ' ' A' ' 108' ' ' SER . 21.6 mt-10 -71.97 153.97 41.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.75 116.27 10.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.427 HG21 HG11 ' A' ' 25' ' ' VAL . 90.1 t -82.46 111.68 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.26 115.06 23.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -137.16 119.84 16.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.1 ttp85 -75.08 138.37 42.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.727 HG21 ' O ' ' A' ' 87' ' ' THR . 7.8 p -76.72 147.04 77.44 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.614 0.721 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -163.67 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.656 2.237 . . . . 0.0 112.322 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -139.55 162.93 33.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.818 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 m -52.26 151.56 7.01 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.654 0.74 . . . . 0.0 111.131 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 99.95 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.391 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 t -81.67 16.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 p -128.74 141.65 42.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.679 0.752 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.01 25.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -170.3 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.675 2.25 . . . . 0.0 112.308 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -143.8 172.78 12.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 53.91 42.22 31.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.456 HG11 HG21 ' A' ' 111' ' ' VAL . 53.4 t -75.39 113.7 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 p -130.23 142.62 50.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.2 t -131.0 107.76 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.27 172.63 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 m -113.47 141.89 46.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.637 ' HD3' HD11 ' A' ' 38' ' ' ILE . 2.1 tppt? -75.67 152.29 37.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -84.48 -58.44 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.26 -31.49 6.36 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.16 132.79 12.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -39.24 6.67 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.665 2.243 . . . . 0.0 112.309 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -70.2 -36.21 74.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.486 ' CG2' ' HE2' ' A' ' 30' ' ' LYS . 82.2 m -66.24 122.77 18.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 pt -130.39 156.44 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.637 HD11 ' HD3' ' A' ' 30' ' ' LYS . 4.1 mp -117.75 137.01 53.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.6 t -122.19 108.18 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -103.92 160.69 14.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.536 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 36.1 p90 -169.43 179.31 3.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -135.51 154.72 78.55 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.594 0.712 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 145.88 58.49 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.274 . . . . 0.0 112.351 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 161.58 45.39 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.669 2.246 . . . . 0.0 112.3 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.3 p -74.52 -37.77 62.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.75 47.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -40.22 -38.47 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 39.44 25.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . 160.49 173.05 28.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -86.16 121.48 28.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.812 HG21 ' OH ' ' A' ' 54' ' ' TYR . 29.9 mm -67.87 130.2 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.1 p -106.4 -42.42 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.429 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -163.43 -173.21 31.87 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.812 ' OH ' HG21 ' A' ' 51' ' ' ILE . 10.8 m-85 -143.04 158.29 43.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.898 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.474 HD11 ' NH1' ' A' ' 99' ' ' ARG . 16.5 mt -131.87 141.76 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.48 HD11 ' CH2' ' A' ' 41' ' ' TRP . 34.2 mt -118.3 135.49 58.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.443 ' CE1' HG22 ' A' ' 55' ' ' ILE . 5.6 m-85 -123.73 129.1 50.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.695 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 8.2 p90 -140.24 165.9 26.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -172.68 171.86 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.4 p -89.11 9.42 25.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.159 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -149.25 138.24 21.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.5 p -91.93 -18.1 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -97.55 32.96 2.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.4 149.6 26.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 68' ' ' ASP . 12.9 mp0 -62.06 130.04 43.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 65' ' ' GLU . 10.0 tp -34.27 -37.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.663 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.0 p-80 -60.08 -47.76 84.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.663 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 10.6 t0 -51.99 -34.94 44.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.527 ' CZ3' ' HD2' ' A' ' 95' ' ' LYS . 38.8 m95 -61.29 146.77 46.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.807 HG13 ' OE1' ' A' ' 72' ' ' GLU . 10.1 p -81.22 150.87 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 75.9 mt -104.01 114.51 43.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.807 ' OE1' HG13 ' A' ' 70' ' ' VAL . 2.5 mp0 -112.85 87.08 9.63 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.637 0.732 . . . . 0.0 110.809 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 134.0 26.84 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.634 2.222 . . . . 0.0 112.329 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 26.9 t -109.91 97.6 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.4 m -53.98 155.2 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.5 165.03 0.2 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -73.53 73.2 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.817 0.341 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.467 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 3.6 tpt180 -108.36 138.15 45.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.536 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 6.6 mt -107.29 1.55 23.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.5 t -128.28 149.43 50.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -139.41 148.28 42.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -126.34 107.65 10.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 74.2 mt -103.97 140.42 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.421 ' HG2' HG23 ' A' ' 36' ' ' THR . 41.3 mt-30 -128.81 179.36 5.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 62.87 32.91 15.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.8 mt -91.02 176.68 6.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.457 ' O ' HG21 ' A' ' 115' ' ' THR . 0.6 OUTLIER -96.38 166.68 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.426 ' H ' HG22 ' A' ' 87' ' ' THR . 3.4 mt -117.94 171.04 8.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.1 t70 44.97 32.98 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 95.0 m -138.32 127.58 14.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.715 . . . . 0.0 111.136 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 102.8 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.712 2.274 . . . . 0.0 112.328 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -102.05 127.99 48.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -99.2 135.23 40.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -122.95 146.91 47.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.527 ' HD2' ' CZ3' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -136.48 128.48 29.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.506 HD13 ' HB3' ' A' ' 41' ' ' TRP . 17.8 mt -97.44 153.88 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.431 ' N ' HG22 ' A' ' 96' ' ' ILE . 30.0 tt0 -152.11 137.32 17.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.51 150.32 22.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.474 ' NH1' HD11 ' A' ' 55' ' ' ILE . 12.4 ttp180 -146.04 138.79 25.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -118.86 -177.88 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.2 m -43.15 -32.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -74.56 -70.82 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -167.98 -153.53 8.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.26 160.73 15.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -108.71 -160.78 19.99 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.74 45.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -74.55 144.21 44.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.0 p -66.63 174.11 3.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.67 150.81 46.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.68 107.3 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.456 HG21 HG11 ' A' ' 25' ' ' VAL . 91.3 t -83.62 101.06 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -76.74 113.59 14.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -132.95 115.56 15.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -73.65 135.69 43.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.457 HG21 ' O ' ' A' ' 87' ' ' THR . 3.1 p -80.23 146.6 62.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.601 0.715 . . . . 0.0 111.141 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -164.04 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.357 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -138.13 159.25 42.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.823 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.821 0.343 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.8 m -51.08 148.47 7.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 102.06 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.709 2.272 . . . . 0.0 112.342 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.4 t -84.27 21.08 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.2 p -134.4 143.34 46.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.688 0.756 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 163.55 37.88 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.616 2.211 . . . . 0.0 112.385 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -177.38 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.68 2.254 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -142.6 178.72 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 t70 50.55 43.42 27.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.662 HG11 HG21 ' A' ' 111' ' ' VAL . 72.7 t -76.7 128.9 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 p -150.06 145.14 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.29 105.66 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 38' ' ' ILE . 31.4 m -106.34 167.2 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 p -110.26 161.33 15.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -98.13 135.74 39.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.19 -62.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -41.1 -39.21 2.01 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -138.71 130.44 15.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.543 0.687 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -51.69 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -54.43 -35.17 62.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.2 m -73.37 138.18 45.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.581 HD11 ' CE2' ' A' ' 94' ' ' PHE . 11.7 pt -139.11 159.02 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.52 ' O ' HG22 ' A' ' 28' ' ' VAL . 5.1 mp -126.03 118.2 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.43 HG12 ' HE3' ' A' ' 41' ' ' TRP . 87.5 t -95.52 112.39 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -103.49 124.66 49.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.576 ' CH2' HD11 ' A' ' 56' ' ' ILE . 26.6 p90 -142.18 -175.34 4.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -145.33 161.35 42.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 152.42 69.33 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 138.1 36.95 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.716 2.278 . . . . 0.0 112.321 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -47.75 -34.45 8.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -85.47 86.31 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.82 67.22 1.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -75.89 49.39 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 155.59 176.72 28.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.78 118.45 29.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.527 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 29.0 mm -67.06 125.57 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.4 p -94.43 -30.89 14.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.578 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -178.04 -167.95 36.79 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.583 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 0.1 OUTLIER -149.17 150.43 32.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 0.0 110.917 -179.839 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.5 mt -123.05 142.03 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.576 HD11 ' CH2' ' A' ' 41' ' ' TRP . 35.2 mt -121.58 137.28 55.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -121.55 129.75 53.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.514 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 3.1 p90 -143.76 151.05 39.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -174.27 161.94 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.0 p -82.64 46.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.434 ' CB ' ' HB2' ' A' ' 64' ' ' ALA . 2.5 m-20 -165.93 137.83 3.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.39 -23.05 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -98.37 -13.17 20.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.435 ' HB1' ' OD2' ' A' ' 68' ' ' ASP . . . -53.35 131.9 38.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.9 OUTLIER -46.31 134.94 8.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 67' ' ' HIS . 8.2 tp -41.5 -40.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.654 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 0.8 OUTLIER -62.54 -37.76 87.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.654 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 34.2 t0 -59.27 -28.2 66.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 61' ' ' ASP . 11.8 m95 -70.76 131.8 44.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.514 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 3.8 p -58.01 149.83 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.081 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.596 HG22 ' HD3' ' A' ' 73' ' ' PRO . 88.0 mt -105.85 108.09 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -107.18 84.3 1.64 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.643 0.735 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.596 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.0 Cg_endo -69.77 135.45 30.46 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.304 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.502 HG11 ' HB3' ' A' ' 78' ' ' ARG . 58.4 t -106.56 113.49 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.0 m -70.98 155.93 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.94 176.31 0.76 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.429 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -81.04 77.83 7.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.781 0.324 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.502 ' HB3' HG11 ' A' ' 74' ' ' VAL . 5.0 tpt180 -112.94 148.8 34.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.534 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 89.6 mt -117.55 4.55 12.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.44 146.52 44.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -134.86 154.78 51.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -120.86 114.05 21.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 45.5 mt -111.6 143.81 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -134.54 -174.57 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 63.89 34.73 11.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.2 mt -107.65 140.85 40.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.518 ' CG2' ' HB ' ' A' ' 90' ' ' THR . 0.6 OUTLIER -65.09 169.98 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.165 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 89' ' ' ASP . 21.5 mt -104.7 171.56 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 88' ' ' LEU . 33.8 t70 32.49 54.26 0.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.518 ' HB ' ' CG2' ' A' ' 87' ' ' THR . 3.3 m -140.8 132.66 14.05 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.584 0.706 . . . . 0.0 111.13 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 112.16 3.01 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.492 ' HE1' HG22 ' A' ' 87' ' ' THR . 10.9 m-85 -116.93 141.71 47.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -113.19 125.48 54.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.581 ' CE2' HD11 ' A' ' 37' ' ' ILE . 67.7 m-85 -110.67 149.07 30.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -134.98 136.3 42.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.456 HD12 HG22 ' A' ' 25' ' ' VAL . 21.6 mt -116.76 154.68 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.447 ' N ' HG22 ' A' ' 96' ' ' ILE . 25.3 tt0 -161.03 142.62 11.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -101.57 130.92 47.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.4 ptt-85 -130.71 140.86 50.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 0.3 OUTLIER -118.79 177.76 4.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.1 t -45.69 -37.17 5.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.4 OUTLIER -62.93 -72.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.16 -147.42 4.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.7 mtm -117.4 159.35 22.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.789 0.328 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -104.69 -167.61 24.42 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 149.5 67.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.375 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 10.7 mmt -82.06 136.81 35.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.2 p -72.03 173.32 8.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -74.22 132.97 42.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -43.06 140.29 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.662 HG21 HG11 ' A' ' 25' ' ' VAL . 97.4 t -114.85 102.33 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -76.28 121.74 23.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -141.12 116.78 10.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -75.22 126.61 31.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.419 HG21 ' O ' ' A' ' 87' ' ' THR . 1.3 p -59.9 151.56 63.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.574 0.702 . . . . 0.0 111.119 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -163.82 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.747 2.298 . . . . 0.0 112.351 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.535 ' HA ' ' HZ3' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -136.31 155.6 49.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.851 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.459 HG12 ' H ' ' A' ' 103' ' ' GLY . 16.5 m -45.55 152.26 0.7 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 111.14 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.413 ' HD3' ' ND2' ' A' ' 100' ' ' ASN . 53.7 Cg_endo -69.75 108.54 2.1 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 p -89.03 13.88 11.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -126.34 138.5 32.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.844 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 169.16 19.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.353 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -177.54 1.93 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -146.92 171.91 14.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 46.1 53.97 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.5 t -85.53 112.37 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -126.4 148.68 49.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.3 t -132.99 117.69 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.4 m -120.67 174.56 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.1 t -120.08 146.29 46.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -57.99 154.8 11.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -88.61 -6.94 57.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.19 8.97 4.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 18.8 tptm -154.03 105.02 2.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 53.8 Cg_endo -69.74 -41.37 4.36 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.274 . . . . 0.0 112.348 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -66.94 -8.21 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 83' ' ' ILE . 36.3 m -113.77 138.29 50.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.1 pt -136.23 156.46 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 mp -118.87 118.66 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.5 t -98.99 105.22 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -97.68 125.78 42.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.631 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 40.3 p90 -135.13 -177.32 4.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -144.94 142.51 18.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 0.0 110.951 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.443 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 53.7 Cg_endo -69.73 163.16 39.27 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 157.24 60.92 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.291 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -81.27 14.82 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 47' ' ' ALA . 21.9 mt-10 -110.38 -52.33 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 33.97 45.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' ALA . 74.6 m-20 -36.29 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -132.71 164.13 24.06 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -62.88 115.36 4.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.902 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 13.7 mm -70.36 116.08 10.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.7 p -81.12 -26.29 36.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.434 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . 172.03 -164.78 37.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.902 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 8.0 m-85 -148.11 153.25 38.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.842 0.353 . . . . 0.0 110.938 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.4 mt -119.57 144.59 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.631 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 86.5 mt -123.57 132.97 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -116.81 114.41 23.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.796 ' CE2' HG11 ' A' ' 70' ' ' VAL . 9.7 p90 -121.37 144.1 48.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.464 ' HB2' ' CD2' ' A' ' 69' ' ' TRP . 2.2 m -169.38 148.55 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.877 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.5 p -64.36 -26.1 68.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.541 ' O ' ' CZ2' ' A' ' 69' ' ' TRP . 1.0 OUTLIER -91.49 138.23 31.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.531 ' HB ' ' CZ ' ' A' ' 93' ' ' TYR . 14.5 p -99.64 -11.43 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -110.09 -22.69 11.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.27 134.59 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' HIS . 2.3 mp0 -47.43 127.64 11.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.0 tp -40.89 -25.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.177 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.635 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.0 p-80 -69.73 -43.54 72.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.635 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 38.8 t70 -60.67 -30.27 69.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.541 ' CZ2' ' O ' ' A' ' 61' ' ' ASP . 16.9 m95 -60.79 154.31 22.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.796 HG11 ' CE2' ' A' ' 58' ' ' TYR . 7.3 p -81.03 155.6 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.188 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.538 HG22 ' HD3' ' A' ' 73' ' ' PRO . 97.1 mt -109.63 111.62 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -107.63 86.63 2.97 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.538 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.9 Cg_endo -69.77 130.48 19.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 99.8 t -107.15 98.34 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.4 m -53.36 167.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.64 -175.09 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -88.06 26.7 1.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.475 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 1.0 OUTLIER -53.17 144.96 14.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 26.0 mt -112.45 2.42 16.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.08 149.58 46.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -125.41 153.81 42.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -125.08 96.93 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 36' ' ' THR . 33.5 mt -94.33 145.81 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.23 176.55 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 58.34 53.8 6.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.2 mt -115.72 162.49 17.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.712 ' O ' HG21 ' A' ' 115' ' ' THR . 1.1 m -81.51 153.26 26.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.4 mt -106.05 171.27 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.429 ' HB2' ' NZ ' ' A' ' 117' ' ' LYS . 22.3 t70 45.39 41.64 6.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.6 m -147.65 131.07 8.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.538 0.685 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 110.58 2.58 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.343 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -105.77 140.89 38.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.531 ' CZ ' ' HB ' ' A' ' 62' ' ' VAL . 26.9 m-85 -105.03 140.35 38.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -128.31 148.69 50.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 110' ' ' ALA . 62.9 mttm -140.47 127.96 21.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.494 HD13 ' CG ' ' A' ' 41' ' ' TRP . 88.8 mt -109.62 153.57 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.42 ' N ' HG22 ' A' ' 96' ' ' ILE . 18.9 tt0 -156.37 139.15 15.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.45 127.26 46.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.456 ' CB ' ' HA ' ' A' ' 104' ' ' MET . 17.3 ptt180 -133.86 153.94 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.463 ' OD1' HD13 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -122.33 -177.28 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 64.7 m -48.4 -36.71 15.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.421 ' N ' ' HE2' ' A' ' 102' ' ' LYS . 0.5 OUTLIER -68.89 -72.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.459 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -158.64 -168.61 21.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.456 ' HA ' ' CB ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -103.77 170.67 7.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 110.849 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -112.8 -156.62 12.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 150.36 68.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 30.0 mtt -93.07 139.61 30.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.1 p -76.44 166.34 23.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -63.37 157.65 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.415 ' HB2' ' HE2' ' A' ' 95' ' ' LYS . . . -71.06 112.06 6.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 55.4 t -84.13 102.58 10.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -76.73 112.41 13.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -126.99 117.98 23.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -72.14 133.18 45.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.712 HG21 ' O ' ' A' ' 87' ' ' THR . 1.6 p -72.81 150.25 90.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -163.59 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.429 ' NZ ' ' HB2' ' A' ' 89' ' ' ASP . 6.3 mmpt? -141.91 154.98 45.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 179.859 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 16' ' ' LEU . 2.2 mm? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.6 m -57.17 154.11 22.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.748 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 97.03 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 0.0 112.325 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.5 p -82.83 19.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -123.47 132.69 24.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.55 37.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 175.48 8.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.375 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -131.28 177.71 7.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.4 t0 50.63 37.28 15.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.08 104.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.1 p -133.08 147.3 52.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.602 HG13 HG22 ' A' ' 39' ' ' VAL . 42.5 t -126.59 110.99 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 38' ' ' ILE . 19.4 m -112.24 166.37 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.1 p -110.93 166.7 10.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -100.43 137.71 38.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -69.1 -62.52 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -44.89 -37.39 5.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -136.73 129.5 17.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.554 0.692 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -49.6 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -54.63 -41.99 70.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 m -67.59 134.55 51.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.4 pt -139.49 149.84 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.681 ' O ' HG22 ' A' ' 28' ' ' VAL . 4.0 mp -115.38 123.24 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.672 ' CG1' HD11 ' A' ' 96' ' ' ILE . 94.5 t -106.5 115.46 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.57 162.74 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 28.2 p90 -174.99 -176.11 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -147.32 157.98 44.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.573 0.702 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 152.45 69.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.344 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 133.5 25.61 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.637 2.225 . . . . 0.0 112.341 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.1 m -46.69 -38.63 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -90.28 92.96 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ASN . . . -102.12 65.22 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' ALA . 81.9 m-20 -35.85 -40.62 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.8 -142.69 5.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.23 129.86 56.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.732 0.301 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.542 HD13 ' OD1' ' A' ' 100' ' ' ASN . 14.5 mm -80.0 110.62 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.179 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.1 p -83.93 -38.02 21.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.55 -175.09 35.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.506 ' CE2' HG21 ' A' ' 51' ' ' ILE . 1.2 m-85 -138.72 148.91 44.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.921 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.785 HD12 ' OE1' ' A' ' 97' ' ' GLN . 47.7 mt -119.12 139.61 45.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.0 mt -118.63 133.77 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.186 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -119.49 130.68 55.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.679 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 2.1 p90 -147.75 148.02 30.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.2 t -174.13 132.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.0 p -42.87 -34.66 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.176 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -91.38 131.16 37.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 p -95.45 -25.14 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -85.35 -15.79 42.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.81 149.83 10.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 67' ' ' HIS . 8.8 mp0 -62.66 134.78 56.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.431 HD11 ' SD ' ' A' ' 107' ' ' MET . 10.1 tp -38.9 -28.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.664 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 0.9 OUTLIER -68.71 -45.25 72.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.664 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 3.9 t70 -56.78 -24.21 48.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.474 ' CZ3' ' HE3' ' A' ' 95' ' ' LYS . 13.3 m95 -70.12 132.6 46.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.679 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 8.5 p -64.44 146.35 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.432 HG22 ' HD3' ' A' ' 73' ' ' PRO . 48.4 mt -103.49 109.67 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -107.21 84.66 1.77 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.594 0.712 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.432 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.6 Cg_endo -69.7 132.13 22.78 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.501 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 85.1 t -106.74 109.24 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.97 157.71 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.93 -178.48 2.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -85.89 43.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.501 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 4.1 tpt180 -74.59 137.22 42.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.7 mt -105.9 8.29 32.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 t -136.4 154.13 50.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -140.85 149.74 42.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -114.42 105.03 12.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.827 HG22 HD11 ' A' ' 86' ' ' LEU . 84.3 mt -106.98 112.26 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -118.08 -175.95 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 63.37 48.36 3.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.827 HD11 HG22 ' A' ' 83' ' ' ILE . 13.4 mt -119.43 168.08 11.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.577 ' O ' HG21 ' A' ' 115' ' ' THR . 2.4 m -79.65 150.51 30.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 20.3 mt -99.76 165.29 11.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.1 t0 44.35 44.14 6.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.587 HG23 ' HD2' ' A' ' 91' ' ' PRO . 87.3 m -143.34 137.06 14.32 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.556 0.693 . . . . 0.0 111.155 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 90' ' ' THR . 53.5 Cg_endo -69.75 121.46 8.16 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -122.1 142.44 50.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.475 ' HB3' ' HB1' ' A' ' 110' ' ' ALA . 5.9 m-85 -113.44 125.42 54.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -117.09 150.36 38.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.474 ' HE3' ' CZ3' ' A' ' 69' ' ' TRP . 5.4 mtmp? -140.61 127.94 21.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.672 HD11 ' CG1' ' A' ' 39' ' ' VAL . 53.1 mt -107.49 144.96 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.785 ' OE1' HD12 ' A' ' 55' ' ' ILE . 0.7 OUTLIER -142.64 154.22 44.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.07 117.09 32.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.756 ' HD3' HD11 ' A' ' 55' ' ' ILE . 33.9 ptt85 -116.18 149.74 38.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.542 ' OD1' HD13 ' A' ' 51' ' ' ILE . 13.6 m-20 -122.49 -175.85 3.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.4 t -53.8 -32.07 51.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -73.57 -70.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -158.52 -160.65 10.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.417 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.536 ' SD ' HD12 ' A' ' 55' ' ' ILE . 48.1 mtm -104.51 156.39 17.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.5 -157.98 25.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 162.49 41.9 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.431 ' SD ' HD11 ' A' ' 66' ' ' ILE . 45.9 mtt -108.15 146.3 32.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.1 p -78.03 176.46 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -73.25 152.27 41.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.475 ' HB1' ' HB3' ' A' ' 93' ' ' TYR . . . -62.88 108.55 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.6 t -82.52 101.06 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -76.62 100.87 5.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -114.3 113.97 25.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -72.11 117.76 14.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.577 HG21 ' O ' ' A' ' 87' ' ' THR . 9.6 p -54.97 147.26 34.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.546 0.688 . . . . 0.0 111.152 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -141.45 155.61 45.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.073 179.85 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.891 0.377 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.4 m -55.34 153.41 13.8 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.601 0.715 . . . . 0.0 111.118 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 102.55 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -85.78 5.88 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 t -116.89 136.39 23.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 163.67 37.37 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.365 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 158.22 57.72 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.79 -179.04 3.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t70 53.56 27.76 7.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.495 HG13 HD12 ' A' ' 96' ' ' ILE . 92.8 t -67.0 107.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.5 p -136.72 147.3 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.77 112.55 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.2 m -111.75 -179.97 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.1 p -112.38 169.33 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -103.61 141.56 35.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -84.36 104.9 14.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 121.66 -28.82 5.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 1.5 tmtm? -128.77 101.64 20.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.539 0.685 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 53.4 Cg_endo -69.79 -18.15 37.02 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -86.81 -7.21 58.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.409 HG23 ' HG2' ' A' ' 84' ' ' GLN . 99.5 m -111.83 150.18 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.537 HD11 ' CE2' ' A' ' 94' ' ' PHE . 7.2 pt -148.07 156.31 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 38' ' ' ILE . 4.3 mp -117.24 124.11 72.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.424 ' O ' ' CZ3' ' A' ' 41' ' ' TRP . 87.2 t -104.3 103.74 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -91.14 154.95 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.632 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 22.4 p90 -171.01 -176.84 2.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -146.8 161.19 38.47 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.576 0.703 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 151.19 69.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.39 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 163.46 38.14 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.647 2.231 . . . . 0.0 112.366 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -83.42 -20.39 34.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -100.28 38.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -46.6 -38.24 9.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 39.38 25.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . 161.85 145.63 4.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 141.64 6.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.612 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 10.7 mm -99.07 117.65 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.572 HG23 ' HA ' ' A' ' 100' ' ' ASN . 15.0 p -75.18 -49.12 20.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.185 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -166.38 -156.77 9.74 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.444 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.612 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 7.4 m-85 -151.54 156.35 40.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 0.0 110.962 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.427 ' CG2' ' CZ ' ' A' ' 57' ' ' TYR . 42.7 mt -123.03 138.94 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.632 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 91.6 mt -118.25 130.14 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CZ ' ' CG2' ' A' ' 55' ' ' ILE . 3.0 m-85 -118.95 123.56 44.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.536 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 4.3 p90 -133.08 137.27 46.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -155.21 150.43 27.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 40.7 p -60.17 -40.7 90.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.153 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -88.08 143.79 26.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 62' ' ' VAL . 7.3 p -97.58 -12.01 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.57 -13.51 15.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.51 134.22 24.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 68' ' ' ASP . 14.7 mt-10 -46.98 132.17 11.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.5 tp -42.18 -27.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.682 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 1.2 p-80 -69.67 -42.19 74.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.682 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -61.63 -23.64 66.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -69.17 145.15 53.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.469 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 5.5 p -76.2 154.89 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.9 mt -111.38 108.97 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -109.09 87.25 4.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 140.77 43.66 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.375 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.9 t -110.1 122.44 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.0 m -76.49 160.15 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.26 -173.91 0.95 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -86.88 36.29 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -73.67 146.01 44.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.511 ' HA ' ' CE2' ' A' ' 41' ' ' TRP . 7.6 mt -119.03 12.58 12.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.3 t -137.88 141.63 40.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -134.22 149.64 50.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -117.08 105.17 11.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.424 HD13 ' CD2' ' A' ' 58' ' ' TYR . 85.1 mt -99.98 126.45 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.409 ' HG2' HG23 ' A' ' 36' ' ' THR . 32.5 mt-30 -115.41 -176.41 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 59.61 37.01 22.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.5 mt -100.24 152.38 20.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.543 ' O ' HG21 ' A' ' 115' ' ' THR . 0.8 OUTLIER -77.69 151.28 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 89' ' ' ASP . 13.7 mt -97.8 177.07 5.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 88' ' ' LEU . 15.5 t0 36.91 43.62 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 51.9 m -146.82 127.17 6.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 111.139 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 108.84 2.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.369 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -102.54 130.23 49.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -98.45 116.47 30.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.537 ' CE2' HD11 ' A' ' 37' ' ' ILE . 34.4 m-85 -107.54 158.11 17.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -149.63 140.81 23.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.522 HD13 ' HB3' ' A' ' 41' ' ' TRP . 40.9 mt -117.11 153.36 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.418 ' N ' HG22 ' A' ' 96' ' ' ILE . 30.1 tt0 -154.52 136.3 14.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -101.32 126.65 48.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.462 ' CB ' ' HG2' ' A' ' 104' ' ' MET . 19.6 ptt180 -127.88 151.29 49.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.572 ' HA ' HG23 ' A' ' 52' ' ' THR . 0.6 OUTLIER -126.41 176.91 6.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.0 t -44.16 -34.7 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.46 ' N ' ' HE2' ' A' ' 102' ' ' LYS . 0.4 OUTLIER -65.95 -73.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -158.83 -149.77 5.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.462 ' HG2' ' CB ' ' A' ' 99' ' ' ARG . 57.6 mtm -116.26 156.7 26.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.97 -158.57 24.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 163.53 37.95 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 27.7 mtt -105.58 122.67 46.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.5 p -54.49 160.22 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -65.29 140.78 58.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.42 116.73 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 84.4 t -89.18 101.52 12.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -76.8 100.72 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -115.98 114.57 24.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.1 ttm-85 -72.45 118.99 16.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.543 HG21 ' O ' ' A' ' 87' ' ' THR . 14.8 p -58.17 144.27 77.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.555 0.693 . . . . 0.0 111.164 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -138.72 157.09 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.828 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.639 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.8 mm? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.827 0.346 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.0 m -44.97 154.1 0.47 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.624 0.726 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.456 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 53.9 Cg_endo -69.74 107.26 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.724 2.283 . . . . 0.0 112.339 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.1 p -86.17 12.67 9.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 t -124.52 135.94 27.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 163.76 37.08 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.719 2.279 . . . . 0.0 112.33 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 168.59 21.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -128.85 179.9 5.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t0 52.72 35.27 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.488 ' CG1' HG21 ' A' ' 111' ' ' VAL . 75.8 t -68.1 108.43 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 p -136.45 144.32 44.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.648 HG22 HG22 ' A' ' 39' ' ' VAL . 59.9 t -132.72 112.02 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.73 176.31 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -115.53 157.11 24.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -93.13 146.08 23.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 32' ' ' GLY . 14.6 tp10 -74.27 -67.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 31' ' ' GLU . . . -36.35 -37.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.527 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -139.34 131.63 15.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.541 0.686 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -51.42 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' HZ3' ' HG3' ' A' ' 35' ' ' LYS . 18.6 mtmm -52.45 -43.05 64.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.4 m -62.92 140.73 58.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.2 pt -143.27 156.15 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mp -118.92 130.53 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.648 HG22 HG22 ' A' ' 27' ' ' VAL . 53.5 t -117.13 111.9 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -102.67 150.92 22.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.537 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 33.5 p90 -160.68 -176.19 5.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -145.48 155.73 53.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.647 0.737 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 154.29 68.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 0.0 112.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 144.38 54.24 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.349 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.5 t -59.67 -47.5 85.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 47' ' ' ALA . 57.1 mm-40 -48.02 -50.17 28.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 34.29 51.37 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 47' ' ' ALA . 98.5 m-20 -34.34 -35.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -142.45 -152.19 5.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.542 ' O ' HD13 ' A' ' 51' ' ' ILE . 13.1 ptpt -84.34 177.51 8.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.312 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.569 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 16.9 mm -133.25 122.98 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.3 p -96.8 -34.48 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.186 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.22 -169.29 35.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.569 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 21.3 m-85 -142.49 172.0 13.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.858 0.361 . . . . 0.0 110.949 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.418 ' CG2' ' CZ ' ' A' ' 57' ' ' TYR . 28.7 mt -139.43 131.95 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.537 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 67.7 mt -111.99 134.3 54.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.418 ' CZ ' ' CG2' ' A' ' 55' ' ' ILE . 13.3 m-85 -120.92 122.61 40.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.842 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 3.1 p90 -134.61 151.43 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 t -171.18 144.06 2.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.588 HG22 ' CZ ' ' A' ' 92' ' ' TYR . 37.7 p -49.5 -51.78 33.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.632 ' CG ' ' HB2' ' A' ' 64' ' ' ALA . 1.1 p30 -73.6 157.07 37.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.454 ' HB ' ' CE1' ' A' ' 93' ' ' TYR . 9.3 p -111.21 -25.15 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -92.91 -14.55 27.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.632 ' HB2' ' CG ' ' A' ' 61' ' ' ASP . . . -51.78 140.41 19.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -53.13 136.87 35.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.0 tp -50.2 -20.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.544 ' CD2' ' C ' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -75.38 -34.23 61.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.857 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.528 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 29.4 t0 -68.94 -31.18 69.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -59.78 151.08 26.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.842 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 9.5 p -78.35 150.64 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.466 HG22 ' HD3' ' A' ' 73' ' ' PRO . 67.0 mt -104.33 116.68 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.731 ' OE1' HG13 ' A' ' 70' ' ' VAL . 4.8 mp0 -115.98 84.61 13.64 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.61 0.719 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.466 ' HD3' HG22 ' A' ' 71' ' ' ILE . 54.0 Cg_endo -69.77 142.51 48.07 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.633 2.222 . . . . 0.0 112.357 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.4 t -112.65 121.09 64.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.1 m -75.55 168.52 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.98 -168.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -91.94 42.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.362 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -78.7 139.07 38.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.462 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 62.3 mt -110.16 1.03 18.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -129.36 139.81 51.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -126.41 154.06 44.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -123.48 109.44 13.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.1 mt -107.2 145.22 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.07 -175.83 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 63.43 38.99 9.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.7 mt -104.33 149.62 25.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.508 ' O ' HG21 ' A' ' 115' ' ' THR . 19.9 m -75.73 137.17 40.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 89' ' ' ASP . 17.4 mt -82.67 -179.65 7.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 89' ' ' ASP . 24.7 t70 36.28 43.31 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.2 m -147.75 122.56 5.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 111.04 2.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.588 ' CZ ' HG22 ' A' ' 60' ' ' THR . 12.5 m-85 -105.6 147.68 28.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.506 ' HB3' ' HB1' ' A' ' 110' ' ' ALA . 30.9 m-85 -112.16 126.12 54.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -113.54 152.81 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -139.92 139.1 36.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.412 HD12 HG22 ' A' ' 25' ' ' VAL . 20.3 mt -112.82 144.32 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.428 ' CD ' ' HB3' ' A' ' 104' ' ' MET . 38.6 tt0 -149.91 141.74 23.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.29 158.09 16.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -154.95 145.15 21.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 102' ' ' LYS . 14.3 p-10 -127.81 -178.15 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.5 p -43.71 -22.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 100' ' ' ASN . 14.3 mmmt -83.89 -75.08 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -165.14 -155.43 8.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.535 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.428 ' HB3' ' CD ' ' A' ' 97' ' ' GLN . 29.6 mtm -93.95 176.72 6.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -124.61 -155.86 9.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.456 ' CD ' ' O ' ' A' ' 18' ' ' PRO . 53.5 Cg_endo -69.79 149.58 66.91 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 3.6 mtt -95.06 131.12 41.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.0 p -75.49 169.49 17.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -66.75 143.76 56.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.506 ' HB1' ' HB3' ' A' ' 93' ' ' TYR . . . -61.28 119.79 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.052 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.488 HG21 ' CG1' ' A' ' 25' ' ' VAL . 76.5 t -84.36 101.89 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -73.84 101.49 3.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -120.12 116.14 25.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -74.44 143.27 44.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.508 HG21 ' O ' ' A' ' 87' ' ' THR . 12.1 p -80.8 148.68 65.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 0.0 111.122 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -163.82 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.348 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -139.87 151.0 45.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.081 179.864 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 4.0 mm? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.807 0.337 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.434 HG12 ' H ' ' A' ' 103' ' ' GLY . 10.4 m -53.41 154.21 6.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 111.158 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.408 ' O ' ' HD2' ' A' ' 106' ' ' PRO . 53.9 Cg_endo -69.78 98.68 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.734 2.289 . . . . 0.0 112.334 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 t -82.84 21.65 1.0 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 t -130.15 136.1 28.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.631 0.729 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 156.33 63.43 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.7 2.266 . . . . 0.0 112.292 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.09 51.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.627 2.218 . . . . 0.0 112.368 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.8 -176.49 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 56.19 30.43 16.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.536 HG22 HD12 ' A' ' 96' ' ' ILE . 68.9 t -66.98 106.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.3 p -132.76 146.59 51.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.155 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.6 t -132.6 106.43 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.6 m -112.71 165.52 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -94.62 153.2 17.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.617 ' HD2' HD11 ' A' ' 38' ' ' ILE . 15.5 tptp -73.7 145.9 44.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 10.4 tt0 -82.6 105.92 14.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.74 -42.12 2.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -109.08 110.89 60.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -33.27 16.5 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.644 2.229 . . . . 0.0 112.306 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -73.6 -10.48 59.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.7 m -111.17 143.22 42.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.2 pt -142.35 162.61 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.617 HD11 ' HD2' ' A' ' 30' ' ' LYS . 5.3 mp -122.0 138.49 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.4 t -126.9 127.9 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -116.94 166.67 11.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.544 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 45.8 p90 -173.4 178.99 2.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -139.48 155.54 71.86 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.82 63.7 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 123.18 9.86 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.343 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -39.94 -33.57 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -60.44 -58.35 8.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 37.89 51.41 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' ALA . 97.6 m-20 -36.53 -29.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -146.42 166.43 28.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -55.1 108.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.591 HD13 ' OD1' ' A' ' 100' ' ' ASN . 29.1 mm -62.64 111.79 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.6 p -71.45 -39.35 71.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -175.83 -156.41 14.86 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.547 ' N ' HH12 ' A' ' 99' ' ' ARG . 0.2 OUTLIER -152.82 148.72 27.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.948 -179.84 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.687 HD12 HH21 ' A' ' 99' ' ' ARG . 26.0 mt -123.44 144.89 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.544 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 96.0 mt -115.81 127.53 73.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -108.84 123.38 48.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.57 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 1.1 p90 -144.14 141.23 29.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.5 t -151.87 -176.37 5.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.1 p -96.68 27.23 4.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 62' ' ' VAL . 34.6 t0 -164.3 152.93 13.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.477 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 10.5 p -104.67 -15.81 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -94.03 -13.24 27.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.18 157.13 10.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 67' ' ' HIS . 12.3 mt-10 -83.26 135.55 34.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' GLU . 9.0 tp -34.86 -31.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' GLU . 1.8 m170 -54.03 -49.99 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.81 -34.98 79.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -54.04 121.35 7.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.553 HG11 ' CE2' ' A' ' 58' ' ' TYR . 3.6 p -57.5 154.46 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.495 HG22 ' HD3' ' A' ' 73' ' ' PRO . 95.7 mt -111.71 107.24 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -107.03 86.16 2.3 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.618 0.723 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.495 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.75 132.35 23.17 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.486 HG21 ' CH2' ' A' ' 41' ' ' TRP . 60.1 t -99.93 99.9 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.4 m -60.18 148.38 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.93 171.75 4.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 78' ' ' ARG . 3.4 p-10 -62.45 -10.34 11.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 77' ' ' ASN . 8.6 ttm-85 -34.32 145.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.451 ' O ' ' CE3' ' A' ' 41' ' ' TRP . 10.0 mt -122.57 15.3 10.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.7 t -130.56 152.77 49.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.186 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -144.49 145.76 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -112.74 116.02 29.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 78.6 mt -110.53 104.94 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -104.21 179.26 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 61.35 48.03 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.9 mt -106.1 178.84 4.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.62 ' O ' HG21 ' A' ' 115' ' ' THR . 15.7 m -102.22 146.08 28.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.2 mt -91.45 173.97 7.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.0 t70 38.75 41.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.5 m -146.76 120.46 5.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.593 0.711 . . . . 0.0 111.143 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.48 3.09 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -102.66 131.86 49.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.972 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -94.82 117.53 30.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -110.31 150.95 28.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -141.08 145.28 35.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.536 HD12 HG22 ' A' ' 25' ' ' VAL . 32.3 mt -119.56 160.01 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.521 ' N ' HG22 ' A' ' 96' ' ' ILE . 2.0 pt20 -157.76 176.34 12.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.58 140.9 31.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.687 HH21 HD12 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -138.3 154.23 49.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.591 ' OD1' HD13 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -128.25 -176.13 3.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.8 t -43.01 -25.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -81.51 -75.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.434 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -165.81 -159.68 12.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.3 mtm -92.56 177.45 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -123.43 -160.35 10.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 18' ' ' PRO . 54.4 Cg_endo -69.71 143.46 51.14 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 17.6 mmt -73.17 144.94 46.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.8 p -81.63 177.27 9.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -73.23 131.39 41.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.08 115.96 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 86.4 t -89.07 102.26 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -81.08 105.7 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -121.88 117.02 25.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -71.94 137.47 47.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.62 HG21 ' O ' ' A' ' 87' ' ' THR . 19.4 p -76.3 145.91 77.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.568 0.699 . . . . 0.0 111.171 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -163.49 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -138.55 161.84 36.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.066 179.873 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.8 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.825 0.345 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 103' ' ' GLY . 31.4 m -44.93 152.67 0.54 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.573 0.701 . . . . 0.0 111.168 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 98.55 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.676 2.25 . . . . 0.0 112.317 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 t -83.21 19.55 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.6 t -133.11 143.97 50.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 161.18 46.92 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -175.51 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -140.75 175.13 9.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 47.21 36.21 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.517 HG13 HD12 ' A' ' 96' ' ' ILE . 73.4 t -71.66 105.54 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -125.57 152.98 44.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.7 t -131.7 111.24 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -112.91 173.3 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 t -104.97 167.24 9.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 15.9 tptp -85.96 149.02 25.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.467 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 15.0 tt0 -78.67 100.95 7.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.9 -42.68 1.9 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -105.0 109.19 62.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.708 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -47.88 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -57.01 -16.98 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 94.6 m -101.9 136.42 41.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.3 pt -136.05 156.93 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.1 mp -121.57 118.55 56.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.3 t -95.34 120.56 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.46 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 0.3 OUTLIER -110.09 159.04 17.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.485 ' CG ' HD13 ' A' ' 96' ' ' ILE . 38.3 p90 -174.46 -179.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -139.84 156.72 70.65 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 143.74 51.92 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 163.09 39.58 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.3 t -64.54 -40.1 94.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' ALA . 28.1 mm-40 -43.27 -64.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 34.49 45.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -75.79 53.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 150.73 133.8 2.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -41.24 128.94 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.309 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.5 mm -79.98 142.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.4 p -116.65 -37.47 3.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.61 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -172.99 -163.58 26.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 53' ' ' GLY . 4.0 m-85 -147.62 163.18 37.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.873 HD12 ' OE1' ' A' ' 97' ' ' GLN . 39.5 mt -131.15 124.24 55.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.193 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.429 HD11 ' HB2' ' A' ' 81' ' ' HIS . 27.3 mt -106.94 140.81 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -125.05 129.1 49.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.695 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 4.7 p90 -140.11 151.42 45.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.939 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 t -172.72 157.12 3.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.576 HG22 ' CZ ' ' A' ' 92' ' ' TYR . 82.4 p -84.78 47.33 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.135 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.526 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 6.6 m-20 -171.89 118.47 0.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.2 p -80.05 -28.2 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -98.39 27.41 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.526 ' HB2' ' HB3' ' A' ' 61' ' ' ASP . . . -95.84 139.54 31.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 68' ' ' ASP . 2.7 mm-40 -49.36 134.87 18.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.9 tp -41.61 -38.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.532 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.7 p-80 -61.99 -38.72 89.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.532 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 38.1 t70 -57.48 -33.4 67.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -66.57 138.61 57.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.695 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 9.5 p -73.77 151.76 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.571 HG22 ' HD3' ' A' ' 73' ' ' PRO . 89.4 mt -103.23 111.8 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.67 ' OE1' HG13 ' A' ' 70' ' ' VAL . 1.1 mp0 -109.2 83.54 2.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.638 0.732 . . . . 0.0 110.932 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.571 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.7 Cg_endo -69.75 121.79 8.48 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.489 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 97.8 t -93.52 104.98 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 36.0 m -59.91 159.78 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.04 172.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -79.29 66.46 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.489 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 3.6 tpt180 -99.0 143.84 28.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.42 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 76.3 mt -109.63 1.07 19.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.6 t -131.64 147.49 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.429 ' HB2' HD11 ' A' ' 56' ' ' ILE . 21.8 t60 -132.89 152.91 51.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -123.48 127.53 48.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.0 mt -126.75 118.23 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.5 ' O ' ' CG ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -109.94 -174.09 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 84' ' ' GLN . 10.9 pt-20 46.53 55.05 8.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 32.8 mt -106.91 -175.34 2.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.661 ' O ' HG21 ' A' ' 115' ' ' THR . 2.6 m -104.39 132.79 50.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.0 mt -90.94 177.75 6.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 65.6 t0 38.21 39.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.503 HG23 ' HD2' ' A' ' 91' ' ' PRO . 53.2 m -148.44 134.98 10.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.707 . . . . 0.0 111.138 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.503 ' HD2' HG23 ' A' ' 90' ' ' THR . 54.2 Cg_endo -69.75 128.75 16.49 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.382 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.576 ' CZ ' HG22 ' A' ' 60' ' ' THR . 8.3 m-85 -130.75 129.82 42.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -102.9 135.7 44.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -121.17 151.78 39.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -142.32 130.46 22.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.517 HD12 HG13 ' A' ' 25' ' ' VAL . 51.2 mt -103.35 143.44 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.873 ' OE1' HD12 ' A' ' 55' ' ' ILE . 18.1 tt0 -139.72 137.98 35.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -101.72 141.71 34.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.443 ' HD3' HD11 ' A' ' 55' ' ' ILE . 11.2 ptt85 -144.12 148.18 34.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 100' ' ' ASN . 4.5 p30 -127.11 -176.48 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.4 t -40.3 -39.53 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -66.81 -75.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.418 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -164.74 -161.37 13.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.42 ' HA ' ' CB ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -97.32 -179.45 4.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.313 . . . . 0.0 110.918 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -130.76 -158.54 9.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 173.38 11.01 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.761 2.307 . . . . 0.0 112.364 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -111.47 153.31 26.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.4 p -84.68 157.6 21.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -48.84 143.33 5.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -55.84 106.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 83.1 t -82.03 103.6 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -77.09 119.26 20.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -131.61 108.78 9.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -70.98 125.44 26.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.661 HG21 ' O ' ' A' ' 87' ' ' THR . 4.7 p -66.93 142.99 97.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 0.0 111.109 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -163.54 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -138.34 158.3 44.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.814 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -149.93 176.09 11.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.887 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -116.48 124.78 50.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.63 151.84 7.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -85.12 178.19 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.6 m -132.74 147.75 52.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.63 -79.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.4 m -84.99 86.01 7.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.79 0.329 . . . . 0.0 111.137 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.59 46.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -89.23 58.38 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.23 -160.69 28.42 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.511 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.33 148.91 21.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.378 . . . . 0.0 111.101 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.5 p -86.62 -17.9 32.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -162.31 151.83 15.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.802 ' C ' HD22 ' A' ' 16' ' ' LEU . 5.4 mt-10 -116.34 154.24 30.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.802 HD22 ' C ' ' A' ' 15' ' ' GLU . 2.5 mm? -125.7 111.57 15.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 m -47.29 153.46 0.93 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.614 0.721 . . . . 0.0 111.151 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 93.56 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.752 2.301 . . . . 0.0 112.374 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.3 t -83.8 30.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.4 p -136.85 141.99 37.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 154.59 67.61 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.375 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.84 26.25 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.665 2.244 . . . . 0.0 112.346 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -119.96 169.94 9.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 58.26 45.69 16.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.495 HG13 HD12 ' A' ' 96' ' ' ILE . 70.1 t -79.73 107.16 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.2 p -130.39 145.36 51.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.616 HG22 HG22 ' A' ' 39' ' ' VAL . 55.8 t -132.3 105.02 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.5 m -106.49 176.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.5 m -114.87 140.42 48.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 16.1 tptt -55.86 151.48 11.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.482 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 27.6 tt0 -84.58 101.18 11.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.87 -31.41 8.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.425 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 17.3 tptt -109.03 103.19 51.52 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.562 0.696 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 53.4 Cg_endo -69.82 -37.02 9.59 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.651 2.234 . . . . 0.0 112.307 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -69.67 -8.77 50.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.6 m -113.2 141.18 47.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.4 pt -144.04 153.47 15.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.564 HG23 HE21 ' A' ' 82' ' ' GLN . 4.6 mp -115.39 133.89 60.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.616 HG22 HG22 ' A' ' 27' ' ' VAL . 99.2 t -117.74 116.17 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -105.48 157.71 17.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.773 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 36.4 p90 -163.04 175.53 11.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -140.6 155.28 69.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.575 0.702 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 144.92 55.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.633 2.222 . . . . 0.0 112.37 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 152.99 69.68 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.357 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -64.81 -45.4 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' ALA . 9.2 mt-10 -45.9 -58.51 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 34.66 52.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' ALA . 90.4 m-20 -34.43 -34.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -135.04 -131.31 3.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' O ' HD13 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -111.78 -176.25 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.87 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.534 HD13 ' O ' ' A' ' 50' ' ' LYS . 48.7 mm -129.15 148.0 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.5 p -130.65 -30.41 1.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.152 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.46 -176.26 38.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.54 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.423 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 55.4 m-85 -141.96 161.7 37.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.842 0.353 . . . . 0.0 110.936 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 93.6 mt -136.34 135.4 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.773 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 87.8 mt -117.89 143.02 29.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -118.76 137.63 53.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.97 ' CE2' HG11 ' A' ' 70' ' ' VAL . 3.7 p90 -149.88 140.5 22.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.0 t -163.58 140.06 6.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.1 p -48.5 -33.86 10.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -95.89 161.94 13.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.563 ' HB ' ' CE1' ' A' ' 93' ' ' TYR . 7.1 p -116.1 -38.43 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -77.68 -5.25 49.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.32 153.89 29.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 67' ' ' HIS . 23.2 mt-10 -77.89 135.53 37.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 65' ' ' GLU . 9.1 tp -34.92 -31.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' GLU . 1.3 m170 -53.03 -50.99 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -65.53 -35.71 81.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.592 ' CZ3' ' HE2' ' A' ' 95' ' ' LYS . 36.9 m95 -54.68 134.02 47.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.97 HG11 ' CE2' ' A' ' 58' ' ' TYR . 8.7 p -76.11 150.64 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.546 HG22 ' HD3' ' A' ' 73' ' ' PRO . 79.5 mt -107.49 112.51 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -107.12 84.18 1.58 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.686 0.755 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.546 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.2 Cg_endo -69.8 130.33 19.09 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.673 2.249 . . . . 0.0 112.306 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.585 HG11 ' HB3' ' A' ' 78' ' ' ARG . 99.0 t -100.36 136.52 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.9 m -100.92 163.4 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.18 32.72 84.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.0 p30 39.03 43.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.326 . . . . 0.0 110.905 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.585 ' HB3' HG11 ' A' ' 74' ' ' VAL . 1.1 tpt180 -73.77 149.01 42.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.478 ' HA ' ' CE2' ' A' ' 41' ' ' TRP . 35.9 mt -104.74 5.52 33.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 t -137.45 149.69 47.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -143.61 148.07 35.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.828 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.564 HE21 HG23 ' A' ' 38' ' ' ILE . 12.2 mp0 -119.56 133.97 55.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.8 mt -124.27 114.97 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -108.1 175.11 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 61.44 48.13 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.3 mt -106.54 179.26 4.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.6 m -95.37 148.47 22.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.154 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.422 ' HB3' ' CE ' ' A' ' 117' ' ' LYS . 53.6 mt -97.98 168.76 10.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.1 t70 39.21 47.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.8 m -145.42 129.91 8.9 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.539 0.685 . . . . 0.0 111.164 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 108.5 2.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -110.08 130.82 55.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.563 ' CE1' ' HB ' ' A' ' 62' ' ' VAL . 5.7 m-85 -101.24 124.68 47.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -113.85 151.73 31.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.592 ' HE2' ' CZ3' ' A' ' 69' ' ' TRP . 44.5 mtmt -139.93 140.31 36.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.592 HD13 ' HB3' ' A' ' 41' ' ' TRP . 9.1 mt -120.23 141.86 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.485 ' NE2' ' HB3' ' A' ' 104' ' ' MET . 1.8 pt20 -138.46 170.3 16.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -125.84 126.18 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -124.66 143.91 50.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.6 p30 -126.67 -177.33 3.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.3 t -38.38 -41.07 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.804 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -68.06 -73.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.54 -149.57 6.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.485 ' HB3' ' NE2' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -108.43 172.07 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 0.0 110.905 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -123.51 -160.56 10.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 143.32 50.59 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 8.1 mtt -85.97 149.02 25.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.4 p -76.63 169.43 18.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -57.05 147.34 24.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.04 114.47 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.68 105.6 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.075 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -82.33 112.22 19.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -127.81 109.29 11.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.2 ttp-105 -70.9 117.68 12.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.4 p -55.74 148.18 37.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.624 0.726 . . . . 0.0 111.089 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.422 ' CE ' ' HB3' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -142.78 147.46 35.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.77 115.4 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.5 t -111.62 94.82 5.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 98.94 145.91 19.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -11.65 31.2 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.633 2.222 . . . . 0.0 112.351 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.1 t -89.72 140.35 29.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.828 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 23.2 t -173.32 131.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -87.47 -56.33 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.867 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t 56.71 42.23 27.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.95 174.47 16.46 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -91.74 88.75 6.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 110.87 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.2 m -141.31 122.98 15.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.31 116.23 4.97 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 m -80.76 107.53 13.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.776 0.322 . . . . 0.0 111.185 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.67 47.92 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.478 ' CG ' ' N ' ' A' ' 11' ' ' GLY . 67.0 t60 -171.91 162.66 6.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.478 ' N ' ' CG ' ' A' ' 10' ' ' HIS . . . -90.86 115.99 4.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.477 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 14' ' ' PHE . 3.4 m -35.72 134.66 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 111.114 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.4 p -82.06 -10.93 59.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.637 ' H ' HG22 ' A' ' 12' ' ' THR . 79.5 t80 -174.85 108.75 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.42 ' O ' HD13 ' A' ' 16' ' ' LEU . 17.1 mm-40 -59.23 165.63 2.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 16' ' ' LEU . 2.8 mm? -124.63 110.71 14.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.8 m -51.22 153.42 3.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.665 0.745 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 94.82 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 p -76.65 7.82 4.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.4 t -116.13 137.69 23.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.67 0.747 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.28 31.5 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.366 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 164.83 33.15 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 0.0 112.288 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -126.87 179.75 5.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.6 t0 49.92 36.7 12.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.9 t -68.18 110.24 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.6 p -138.42 148.06 44.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.9 t -131.23 111.18 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 38' ' ' ILE . 28.9 m -110.17 164.67 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.4 p -106.8 153.35 22.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 16.8 tptm -84.85 150.51 24.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 32.8 tt0 -86.06 -61.8 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -45.73 -30.28 3.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' CE ' ' HB2' ' A' ' 35' ' ' LYS . 1.1 tmtm? -143.53 130.22 10.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.55 0.691 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -51.61 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.403 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HB2' ' CE ' ' A' ' 33' ' ' LYS . 37.4 mttp -59.08 -19.13 41.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.5 m -90.09 129.9 36.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.077 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.6 pt -132.51 162.14 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.475 ' O ' HG22 ' A' ' 28' ' ' VAL . 5.1 mp -128.03 120.49 53.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 65.4 t -99.0 117.57 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -103.28 151.3 22.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.604 ' CH2' HD11 ' A' ' 56' ' ' ILE . 23.8 p90 -168.29 177.79 5.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -144.16 157.64 56.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.595 0.712 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 153.2 69.17 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.383 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 146.06 59.25 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.4 t -63.91 -23.08 67.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -97.3 58.71 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 48' ' ' ASN . . . -81.66 60.49 4.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 47' ' ' ALA . 20.1 m-20 -34.24 -36.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -125.1 -164.65 11.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -101.93 132.39 47.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.725 0.298 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.824 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 10.5 mm -82.82 137.28 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.157 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 p -109.92 -31.07 7.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.471 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -170.34 -179.81 42.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.824 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 2.5 m-85 -141.09 161.43 37.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.821 0.344 . . . . 0.0 110.957 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.921 HD12 ' NH1' ' A' ' 99' ' ' ARG . 46.3 mt -138.38 117.45 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.604 HD11 ' CH2' ' A' ' 41' ' ' TRP . 26.3 mt -95.66 147.32 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -129.81 118.85 22.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.77 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 12.2 p90 -120.47 148.48 43.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.518 ' HB2' ' CD2' ' A' ' 69' ' ' TRP . 1.7 m -171.94 146.8 2.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 44.1 p -70.5 -14.87 62.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -100.55 120.63 40.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 62' ' ' VAL . 9.9 p -87.05 2.13 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -121.37 -17.85 7.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.99 140.68 4.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 67' ' ' HIS . 6.2 mp0 -42.71 129.26 4.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.1 tp -42.82 -31.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 65' ' ' GLU . 2.0 p80 -83.58 -29.87 27.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' GLU . 8.8 m-20 -59.11 -27.11 65.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.518 ' CD2' ' HB2' ' A' ' 59' ' ' SER . 16.9 m95 -62.7 155.14 27.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.77 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 13.5 p -74.51 147.0 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.585 HG22 ' HD3' ' A' ' 73' ' ' PRO . 83.9 mt -99.02 120.19 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.584 ' OE1' HG13 ' A' ' 70' ' ' VAL . 4.7 mp0 -124.57 85.12 56.63 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.671 0.748 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.585 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.6 Cg_endo -69.79 148.59 65.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.315 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 60.4 t -119.97 119.0 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.3 m -79.3 164.11 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 77' ' ' ASN . . . 51.17 35.03 33.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' GLY . 0.3 OUTLIER 34.7 54.7 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.484 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 4.3 tpt180 -75.54 123.09 24.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.9 mt -75.25 -4.02 36.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 t -137.87 138.47 39.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -126.1 158.54 35.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -120.21 97.59 5.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.598 HG22 HD11 ' A' ' 86' ' ' LEU . 85.5 mt -98.77 120.02 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -123.91 -175.78 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 62.18 50.32 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.598 HD11 HG22 ' A' ' 83' ' ' ILE . 30.9 mt -118.57 174.19 6.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.424 ' O ' HG21 ' A' ' 115' ' ' THR . 22.0 m -86.49 146.72 26.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.6 mt -96.93 170.88 8.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 89' ' ' ASP . 21.1 t0 40.48 43.87 1.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.424 HG23 ' HD2' ' A' ' 91' ' ' PRO . 93.3 m -143.45 132.97 11.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.642 0.734 . . . . 0.0 111.133 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.424 ' HD2' HG23 ' A' ' 90' ' ' THR . 53.8 Cg_endo -69.74 108.55 2.1 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -109.79 145.16 37.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -115.11 141.67 47.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -128.18 153.88 46.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -138.67 131.36 29.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.1 mt -114.54 144.66 21.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 33.4 tt0 -153.56 138.25 16.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.61 144.33 29.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.921 ' NH1' HD12 ' A' ' 55' ' ' ILE . 11.6 ptp180 -149.52 157.99 43.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -125.42 -175.98 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.7 t -49.28 -32.42 10.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -71.27 -68.5 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.57 -169.76 32.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.432 ' CG ' ' HD3' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -103.01 167.57 9.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 110.883 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.496 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -113.09 -155.82 12.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.86 49.07 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.467 ' SD ' ' NE2' ' A' ' 97' ' ' GLN . 11.4 mmt -82.77 153.13 25.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 85.4 p -84.87 162.16 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 110' ' ' ALA . 7.6 pt-20 -68.62 124.53 23.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 109' ' ' GLU . . . -35.07 144.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 93.0 t -117.76 102.0 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -73.35 99.87 3.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -115.45 113.53 23.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -70.99 131.75 44.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.424 HG21 ' O ' ' A' ' 87' ' ' THR . 19.2 p -70.01 149.61 96.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.593 0.711 . . . . 0.0 111.131 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -163.72 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.542 ' HA ' ' HZ3' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -142.1 147.02 36.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.55 77.24 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 t -117.85 -69.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 161.7 77.16 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 96.18 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 2.253 . . . . 0.0 112.365 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 123' ' ' SER . 3.6 t -70.59 116.91 11.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 122' ' ' SER . 32.2 t -35.65 -51.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -167.55 107.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -162.54 129.31 3.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.03 160.28 23.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 t -171.35 162.03 6.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.858 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -104.65 154.52 19.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.59 124.42 0.9 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.0 p -51.71 138.36 23.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 111.131 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.45 163.34 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -92.4 117.56 30.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -137.88 129.06 4.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.532 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.26 53.6 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 111.155 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.9 m -100.22 116.74 32.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.436 ' CD1' ' O ' ' A' ' 14' ' ' PHE . 29.8 p90 -68.09 116.61 8.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.488 ' HB3' ' CG ' ' A' ' 102' ' ' LYS . 4.7 tt0 -55.31 -177.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 mt -138.62 115.36 10.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.415 HG12 ' HB2' ' A' ' 102' ' ' LYS . 20.4 m -52.05 152.99 5.05 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.629 0.728 . . . . 0.0 111.109 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' O ' ' HD2' ' A' ' 106' ' ' PRO . 53.8 Cg_endo -69.82 100.79 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.8 t -85.46 26.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 m -136.27 134.63 20.14 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.27 38.87 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.32 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.556 ' HG3' HG22 ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.77 174.39 9.59 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.71 -176.54 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 39.8 54.01 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.8 t -87.76 109.73 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.9 p -128.42 145.41 51.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.414 HG13 HG22 ' A' ' 39' ' ' VAL . 43.2 t -130.02 109.43 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.5 m -115.9 166.63 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 p -103.5 155.87 18.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -91.68 143.56 26.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -73.46 -65.92 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -37.92 -37.92 0.47 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.441 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HE2' ' CG ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -143.28 133.54 12.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.562 0.696 . . . . 0.0 110.886 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -51.09 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.42 ' CG ' ' HE2' ' A' ' 33' ' ' LYS . 24.6 mttm -52.88 -35.9 58.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.9 m -73.22 130.97 41.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.475 HD11 ' CE2' ' A' ' 94' ' ' PHE . 6.8 pt -137.17 153.64 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.631 ' N ' HD12 ' A' ' 38' ' ' ILE . 3.5 mp -112.85 134.3 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.414 HG22 HG13 ' A' ' 27' ' ' VAL . 95.1 t -121.94 108.97 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -99.67 156.33 17.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.933 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 35.7 p90 -165.83 179.02 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -141.99 153.64 64.14 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.642 0.734 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 147.51 62.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.242 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 132.49 23.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.2 m -48.63 -31.21 6.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -85.69 73.27 10.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -85.79 59.03 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' ALA . 72.5 m-80 -34.67 -32.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -141.06 171.9 23.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 100' ' ' ASN . 18.3 tttt -72.29 132.59 44.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.754 0.312 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.48 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 4.4 mm -81.14 140.54 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.8 p -119.46 -14.55 9.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.9 173.85 38.99 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.443 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.48 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 59.5 m-85 -131.15 158.48 40.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.45 HD12 ' SD ' ' A' ' 104' ' ' MET . 67.4 mt -135.52 131.01 50.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.152 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.933 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 91.0 mt -109.76 140.04 30.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -126.17 115.1 19.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.535 ' CE2' HG11 ' A' ' 70' ' ' VAL . 2.4 p90 -125.5 147.09 49.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.491 ' HB2' ' CD2' ' A' ' 69' ' ' TRP . 2.1 m -169.86 152.76 4.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.431 HG22 ' CZ ' ' A' ' 92' ' ' TYR . 17.1 p -64.9 -40.27 94.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.118 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.463 ' CG ' ' HB2' ' A' ' 64' ' ' ALA . 1.1 p30 -80.28 137.07 36.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 62' ' ' VAL . 14.0 p -100.84 1.37 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -116.21 -24.18 8.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.463 ' HB2' ' CG ' ' A' ' 61' ' ' ASP . . . -45.61 139.94 3.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.583 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . 2.8 mp0 -47.78 130.09 14.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 67' ' ' HIS . 6.2 tp -38.11 -41.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.583 ' CD2' ' HB3' ' A' ' 65' ' ' GLU . 13.2 p80 -65.33 -40.64 93.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.53 ' N ' ' ND1' ' A' ' 67' ' ' HIS . 28.1 t70 -52.3 -29.99 26.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.491 ' CD2' ' HB2' ' A' ' 59' ' ' SER . 12.2 m95 -64.66 160.71 19.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.535 HG11 ' CE2' ' A' ' 58' ' ' TYR . 4.3 p -79.35 144.12 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.469 HG22 ' HD3' ' A' ' 73' ' ' PRO . 80.3 mt -100.51 106.11 18.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -107.87 84.85 2.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.469 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.8 Cg_endo -69.74 150.4 68.3 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.371 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.5 t -119.36 121.38 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.8 m -76.32 155.72 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.28 169.42 0.13 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -73.21 66.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -106.55 154.39 20.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.503 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 4.3 mt -124.61 8.04 8.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 t -131.46 138.25 48.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -132.89 148.03 52.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -112.07 97.81 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.417 HD13 ' CD2' ' A' ' 58' ' ' TYR . 72.4 mt -89.58 135.13 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -126.56 -179.85 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 62.14 44.7 7.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.2 mt -109.75 153.38 24.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.805 ' O ' HG21 ' A' ' 115' ' ' THR . 0.8 OUTLIER -78.43 146.47 34.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 mt -97.7 168.69 10.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.2 t70 47.66 39.34 9.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -145.73 129.75 8.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.528 0.68 . . . . 0.0 111.154 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 111.59 2.85 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.431 ' CZ ' HG22 ' A' ' 60' ' ' THR . 9.1 m-85 -107.37 150.29 26.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -114.77 125.1 53.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.475 ' CE2' HD11 ' A' ' 37' ' ' ILE . 56.2 m-85 -113.25 150.93 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -135.99 139.06 42.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.566 HD13 ' HB3' ' A' ' 41' ' ' TRP . 10.6 mt -122.49 141.99 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.478 ' NE2' ' HB3' ' A' ' 104' ' ' MET . 0.0 OUTLIER -156.98 146.34 20.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.453 ' N ' ' HG2' ' A' ' 97' ' ' GLN . . . -98.74 163.22 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -148.77 143.08 26.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 7.8 p-10 -127.85 -177.69 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 100' ' ' ASN . 2.2 m -37.58 -40.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.488 ' CG ' ' HB3' ' A' ' 15' ' ' GLU . 7.1 mmpt? -65.29 -75.23 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -171.68 -154.76 10.19 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.478 ' HB3' ' NE2' ' A' ' 97' ' ' GLN . 33.5 mtm -95.69 165.73 12.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -109.31 -168.01 20.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 18' ' ' PRO . 54.0 Cg_endo -69.72 138.42 37.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.357 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 13.7 mmt -66.07 131.85 47.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.3 p -65.22 163.79 14.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.14 120.61 9.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -43.36 125.28 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.8 t -99.6 113.7 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -82.58 110.81 18.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -128.27 116.04 19.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -73.8 127.84 33.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.805 HG21 ' O ' ' A' ' 87' ' ' THR . 4.6 p -63.9 149.49 93.21 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.615 0.722 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.409 ' HZ3' ' HA ' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -141.47 146.34 36.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.42 138.57 51.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.0 t -104.33 161.26 14.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.869 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -101.67 -78.91 1.36 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 111.92 2.95 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.0 m -71.52 124.25 24.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 m -158.8 106.72 1.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.5 p -97.05 175.36 6.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 0.0 110.825 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 p -48.17 121.3 4.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.63 124.5 1.39 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -101.2 119.93 39.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.876 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 t -106.97 124.24 49.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.46 120.51 0.52 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.2 m -77.88 141.2 39.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.78 0.324 . . . . 0.0 111.138 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 10' ' ' HIS . . . -91.2 140.15 30.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' ALA . 31.4 m-70 -38.04 130.73 1.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.836 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.94 103.41 0.17 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.4 p -66.48 95.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 111.169 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.8 p 40.27 46.86 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -104.05 156.65 17.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.478 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 1.6 tp10 -171.3 159.6 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mp -119.85 112.27 19.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 m -45.86 154.01 0.6 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.456 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 54.3 Cg_endo -69.75 106.59 1.69 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.1 p -85.12 22.44 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.9 m -135.5 139.37 31.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.687 0.756 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 168.03 22.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 178.09 4.93 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -137.3 -175.94 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 45.46 33.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.4 t -67.59 114.48 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.1 p -140.45 145.58 37.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.193 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 t -129.55 118.21 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -122.93 166.64 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.8 p -116.61 129.71 56.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 tptp -47.53 152.23 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.947 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -88.79 -25.4 22.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -98.25 1.03 58.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -159.18 113.41 1.57 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.537 0.684 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -28.1 25.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.257 . . . . 0.0 112.342 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -76.53 -21.65 55.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.5 m -91.52 146.37 23.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.595 ' CD1' ' CZ ' ' A' ' 94' ' ' PHE . 19.3 pt -146.12 150.92 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.78 138.93 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.0 t -123.09 111.56 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -103.1 152.95 20.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.644 ' CH2' HD11 ' A' ' 56' ' ' ILE . 37.8 p90 -165.43 -175.64 3.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.45 ' NE2' ' HD2' ' A' ' 43' ' ' PRO . 4.5 mm100 -140.03 159.97 62.22 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.547 0.689 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HD2' ' NE2' ' A' ' 42' ' ' GLN . 53.6 Cg_endo -69.83 159.73 52.28 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.645 2.23 . . . . 0.0 112.308 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 149.33 67.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.282 . . . . 0.0 112.357 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.2 t -67.11 -45.76 76.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -57.51 -63.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 37.71 51.11 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -41.5 -25.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -124.02 -154.38 8.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.517 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.75 126.0 54.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.591 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 25.9 mm -69.38 146.61 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.7 p -124.51 -34.57 2.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.33 176.08 39.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.441 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.591 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 78.9 m-85 -134.83 158.3 44.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.8 mt -135.22 129.18 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.644 HD11 ' CH2' ' A' ' 41' ' ' TRP . 89.5 mt -108.43 142.46 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -127.53 125.63 40.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.629 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 1.9 p90 -140.16 156.1 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -172.25 173.89 4.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.2 p -87.92 32.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -161.11 154.33 21.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.447 ' HB ' ' CE2' ' A' ' 93' ' ' TYR . 14.5 p -107.81 -23.93 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -97.27 -17.58 19.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.558 ' HB1' ' CG ' ' A' ' 68' ' ' ASP . . . -48.18 147.38 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 67' ' ' HIS . 10.6 mp0 -67.15 133.99 50.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.4 tp -39.16 -26.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.537 ' H ' ' CD2' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -55.15 -53.06 60.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.558 ' CG ' ' HB1' ' A' ' 64' ' ' ALA . 0.6 OUTLIER -62.21 -37.48 85.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.402 ' CD1' ' OD1' ' A' ' 68' ' ' ASP . 40.6 m95 -53.07 121.46 7.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.629 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 7.0 p -66.09 153.38 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.517 HG22 ' HD3' ' A' ' 73' ' ' PRO . 84.0 mt -106.54 114.02 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -115.31 86.51 14.65 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.672 0.749 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.517 ' HD3' HG22 ' A' ' 71' ' ' ILE . 54.0 Cg_endo -69.71 142.28 47.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.5 t -108.13 106.36 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 m -62.25 161.61 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.64 178.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.424 ' ND2' ' H ' ' A' ' 77' ' ' ASN . 2.0 p30 -80.92 57.13 2.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -102.23 139.94 37.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.512 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 8.9 mt -110.92 9.98 22.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -129.76 138.81 51.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -128.41 148.72 50.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -119.41 96.52 5.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 42.3 mt -92.47 139.65 17.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -128.76 -179.96 5.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 58.59 51.59 7.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 33.2 mt -109.77 146.37 35.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -73.01 131.8 42.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' ASP . 11.1 mt -81.87 177.76 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' LEU . 23.1 t0 36.27 45.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.563 HG23 ' HD2' ' A' ' 91' ' ' PRO . 97.0 m -148.7 136.24 10.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 111.134 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 90' ' ' THR . 53.1 Cg_endo -69.76 123.3 9.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.722 2.281 . . . . 0.0 112.309 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -123.83 126.63 46.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.447 ' CE2' ' HB ' ' A' ' 62' ' ' VAL . 5.5 m-85 -103.05 120.66 41.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.595 ' CZ ' ' CD1' ' A' ' 37' ' ' ILE . 51.4 m-85 -105.68 155.14 19.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -144.11 135.49 25.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 56.3 mt -108.61 147.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 2.6 tp-100 -145.85 132.39 19.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -103.1 123.75 47.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 100' ' ' ASN . 9.9 ttt180 -123.64 148.73 46.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.848 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.406 ' N ' ' HG3' ' A' ' 99' ' ' ARG . 13.9 p-10 -127.18 -175.71 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.4 t -44.79 -21.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.478 ' HE3' ' N ' ' A' ' 15' ' ' GLU . 49.1 mmtt -85.23 -75.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.09 -150.3 6.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 46.1 mtm -97.32 167.51 10.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.424 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -116.57 -154.72 10.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.456 ' CD ' ' O ' ' A' ' 18' ' ' PRO . 53.7 Cg_endo -69.73 142.0 46.87 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 36.4 mtt -84.18 135.94 34.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 91.7 p -71.23 170.95 11.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.49 126.13 30.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -37.92 120.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.045 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.1 t -96.28 105.05 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -81.63 109.82 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -125.68 119.06 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.7 ttm-85 -75.75 131.79 40.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.9 p -73.53 148.77 88.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 111.131 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -140.49 157.86 44.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -78.11 69.13 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.2 p -115.22 -50.83 2.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.93 133.82 44.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 175.32 8.27 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 30.0 p -93.38 -56.57 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.4 t -140.18 122.05 15.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.796 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -92.47 -48.73 6.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.388 . . . . 0.0 110.866 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -105.63 90.35 3.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.02 -107.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 t -154.11 147.12 24.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -145.19 170.34 16.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.49 -46.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.1 m -88.49 88.93 7.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 0.0 111.146 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.54 132.59 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -105.56 39.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 145.7 56.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 12' ' ' THR . 25.1 m 47.74 30.15 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 111.135 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.9 p -86.05 115.52 23.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -119.13 155.5 31.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.741 ' C ' HD22 ' A' ' 16' ' ' LEU . 23.0 mt-10 -135.52 164.39 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.741 HD22 ' C ' ' A' ' 15' ' ' GLU . 2.3 mm? -122.91 110.45 15.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.4 m -52.25 153.04 5.33 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.729 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 96.89 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.8 p -79.78 6.26 11.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -118.97 141.25 29.86 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.699 0.762 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 169.56 18.59 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.732 2.288 . . . . 0.0 112.335 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -166.82 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -150.29 -179.64 7.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 44.65 48.6 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.0 t -77.21 116.08 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.3 p -136.68 142.02 43.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.476 HG13 HG22 ' A' ' 39' ' ' VAL . 22.6 t -131.33 106.84 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.1 m -105.72 -179.21 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 m -118.55 157.54 27.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 14.7 tptp -92.25 150.12 21.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 27.1 tt0 -90.55 -57.9 2.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.87 -16.3 3.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.05 119.64 2.76 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.552 0.691 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -35.55 12.47 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -77.72 10.32 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.5 m -119.48 144.58 46.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.494 HD11 ' CE2' ' A' ' 94' ' ' PHE . 9.9 pt -142.3 155.04 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.587 ' N ' HD12 ' A' ' 38' ' ' ILE . 3.7 mp -118.94 124.24 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.476 HG22 HG13 ' A' ' 27' ' ' VAL . 44.1 t -108.11 125.41 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -116.51 161.27 19.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.611 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 45.2 p90 -170.55 179.82 3.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -141.63 153.66 65.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 155.14 66.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.639 2.226 . . . . 0.0 112.31 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 140.13 42.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.242 . . . . 0.0 112.373 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 t -60.3 -32.46 71.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' ALA . 17.7 mt-10 -58.62 -57.19 14.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 35.87 52.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' ALA . 57.5 m-20 -35.65 -31.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -132.73 -104.14 0.89 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -145.5 176.05 9.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.812 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 41.6 mm -129.8 146.32 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.3 p -127.27 -28.91 2.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.521 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -165.46 -175.67 36.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.812 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 13.5 m-85 -146.86 175.38 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 110.921 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.574 HD11 ' HD3' ' A' ' 99' ' ' ARG . 22.1 mt -140.89 134.68 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.611 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 79.3 mt -113.83 130.78 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 3.5 m-85 -117.28 116.01 26.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.876 ' CE2' HG11 ' A' ' 70' ' ' VAL . 12.5 p90 -127.41 145.19 50.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.457 ' HB3' ' CD2' ' A' ' 69' ' ' TRP . 3.5 p -158.59 168.38 27.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.2 p -89.13 -14.8 35.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.423 ' O ' ' CZ2' ' A' ' 69' ' ' TRP . 0.5 OUTLIER -107.13 136.14 47.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.4 p -93.26 -10.49 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -109.62 -17.56 13.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.54 137.31 43.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -51.85 139.93 20.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 66' ' ' ILE . 8.1 tp -54.29 -18.74 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 67' ' ' HIS . 1.4 p-80 -78.69 -25.56 44.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -78.46 -29.28 46.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.457 ' CD2' ' HB3' ' A' ' 59' ' ' SER . 11.2 m0 -61.73 159.65 13.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.876 HG11 ' CE2' ' A' ' 58' ' ' TYR . 4.5 p -82.87 153.83 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.606 HG22 ' HD3' ' A' ' 73' ' ' PRO . 98.8 mt -108.49 116.04 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -114.09 84.32 8.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.606 ' HD3' HG22 ' A' ' 71' ' ' ILE . 54.1 Cg_endo -69.79 136.32 32.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.641 2.227 . . . . 0.0 112.395 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.8 t -104.33 121.01 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.2 m -77.67 169.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.82 -176.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -83.71 41.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -84.81 138.47 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.524 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 4.8 mt -111.01 10.71 22.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.5 t -136.04 146.04 46.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -136.77 164.86 27.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -129.18 109.75 11.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.9 mt -103.82 123.39 57.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -115.27 -176.23 2.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 62.51 38.84 12.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.4 mt -101.65 161.75 13.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.28 140.0 29.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.171 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 mt -84.88 172.41 11.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.1 t0 39.75 40.52 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.7 m -140.09 129.02 13.35 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 111.147 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 106.1 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -104.58 136.0 44.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -106.8 127.86 53.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.494 ' CE2' HD11 ' A' ' 37' ' ' ILE . 26.3 m-85 -116.84 154.72 30.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -141.02 135.58 31.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.591 HD13 ' HB3' ' A' ' 41' ' ' TRP . 9.8 mt -115.13 143.12 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.407 ' OE1' ' C ' ' A' ' 106' ' ' PRO . 22.4 tt0 -146.78 149.22 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.64 150.26 23.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.574 ' HD3' HD11 ' A' ' 55' ' ' ILE . 7.7 ptt180 -152.32 149.27 28.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.8 p30 -127.11 175.95 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -47.18 -27.49 1.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -73.43 -71.98 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -159.12 -153.51 6.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.454 ' SD ' ' CD1' ' A' ' 55' ' ' ILE . 46.5 mtm -115.78 158.58 22.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.62 -160.89 22.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.407 ' C ' ' OE1' ' A' ' 97' ' ' GLN . 53.4 Cg_endo -69.72 155.34 66.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.738 2.292 . . . . 0.0 112.321 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 7.1 mtt -98.39 145.49 26.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 t -77.51 167.86 20.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.7 pm0 -67.46 151.65 47.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.35 108.97 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.9 t -82.54 102.05 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -79.79 130.23 35.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 114' ' ' ARG . 32.5 t80 -147.36 127.28 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.429 ' O ' ' CE1' ' A' ' 113' ' ' PHE . 54.7 ttm-85 -80.86 146.17 30.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.2 p -88.76 147.26 38.78 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 111.177 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -163.82 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -139.12 151.68 46.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.27 138.74 55.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 79.0 p -119.57 157.59 28.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -89.08 -173.22 46.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 160.22 50.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.5 p -99.17 152.7 19.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.7 t -165.62 108.95 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 p -53.23 158.01 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -174.94 165.78 3.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.19 -148.92 7.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.441 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 p -161.61 112.95 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -147.37 130.64 16.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.97 175.08 21.83 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.3 p -80.82 91.36 5.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 111.107 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.5 158.02 39.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.545 ' H ' ' CD2' ' A' ' 10' ' ' HIS . 6.2 p80 -74.07 87.37 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.79 79.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.8 p -46.16 -46.92 17.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.357 . . . . 0.0 111.169 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.0 m -66.22 128.25 35.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -119.31 128.53 54.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -141.83 156.9 45.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.3 mt -133.28 110.08 9.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 m -47.23 152.03 1.15 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 101.53 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.73 2.286 . . . . 0.0 112.329 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 p -81.88 12.37 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -130.4 139.1 34.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 166.81 26.4 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 166.16 28.5 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.238 . . . . 0.0 112.381 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -116.65 -177.26 3.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 40.42 48.65 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.5 t -80.24 111.03 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.7 p -139.08 151.77 47.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.13 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.9 t -130.37 107.01 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 38' ' ' ILE . 28.8 m -104.11 177.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 m -116.72 150.95 37.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 17.2 tptp -85.63 149.55 25.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 38.1 tt0 -83.67 -67.14 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -39.04 -27.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -147.75 132.31 8.8 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.567 0.699 . . . . 0.0 110.918 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -51.99 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -59.08 -24.31 62.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 84' ' ' GLN . 97.3 m -80.31 135.86 36.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.118 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.1 pt -136.99 168.47 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.42 ' O ' HG22 ' A' ' 28' ' ' VAL . 5.3 mp -135.13 116.94 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.469 HG12 ' HE3' ' A' ' 41' ' ' TRP . 85.8 t -94.84 113.76 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.47 139.58 34.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.795 ' CH2' HD11 ' A' ' 56' ' ' ILE . 30.9 p90 -158.84 171.77 19.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -135.67 160.72 66.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 154.5 67.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 153.29 68.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.31 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.7 t -62.55 -49.77 73.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' ALA . 3.3 mm-40 -46.0 -55.59 6.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 35.85 51.81 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -76.18 52.2 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 156.15 153.92 6.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.511 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -64.53 119.78 11.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.746 0.308 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.633 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 14.0 mm -72.42 131.28 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.7 p -101.26 -39.8 7.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -171.03 178.61 43.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.633 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 38.3 m-85 -131.78 157.21 44.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.38 . . . . 0.0 110.881 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.2 mt -123.22 146.16 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.795 HD11 ' CH2' ' A' ' 41' ' ' TRP . 82.4 mt -126.39 132.02 70.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -119.52 128.7 54.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.662 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 2.5 p90 -142.29 137.3 30.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 t -158.34 140.22 13.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.0 p -49.26 -37.95 25.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.77 150.44 25.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.566 HG13 ' ND2' ' A' ' 63' ' ' ASN . 13.1 p -108.96 -21.94 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.566 ' ND2' HG13 ' A' ' 62' ' ' VAL . 55.1 m-80 -108.24 29.22 7.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.45 135.57 41.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -48.05 134.21 14.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.3 tp -45.55 -23.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -57.94 -44.34 86.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.98 -36.41 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -54.24 133.9 44.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.663 HG13 ' OE1' ' A' ' 72' ' ' GLU . 7.6 p -70.77 152.65 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.534 HG22 ' HD3' ' A' ' 73' ' ' PRO . 95.2 mt -105.44 113.04 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.663 ' OE1' HG13 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -108.54 84.59 2.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.642 0.734 . . . . 0.0 110.886 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.534 ' HD3' HG22 ' A' ' 71' ' ' ILE . 54.1 Cg_endo -69.76 134.06 27.07 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.386 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 43.4 t -100.52 138.1 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.6 m -105.61 170.64 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.52 35.53 66.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.448 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 77' ' ' ASN . 16.6 t30 40.45 36.94 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 29.8 ttt180 -73.66 144.12 45.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.542 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 82.0 mt -100.05 7.23 44.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.92 156.98 47.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -144.56 145.97 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -116.76 106.97 14.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 71.8 mt -101.12 131.15 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.405 ' HG2' HG23 ' A' ' 36' ' ' THR . 23.5 mt-30 -119.5 -179.57 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 62.05 35.91 15.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.3 mt -97.17 156.3 16.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.7 ' O ' HG21 ' A' ' 115' ' ' THR . 1.9 m -76.18 147.25 38.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 89' ' ' ASP . 28.0 mt -98.57 171.04 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 88' ' ' LEU . 35.9 t70 37.54 38.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.423 HG23 ' HD2' ' A' ' 91' ' ' PRO . 25.9 m -138.86 135.13 17.43 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.608 0.718 . . . . 0.0 111.153 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.423 ' HD2' HG23 ' A' ' 90' ' ' THR . 54.0 Cg_endo -69.74 123.98 10.64 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.249 . . . . 0.0 112.384 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -128.46 136.97 51.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.608 ' HB3' ' HB1' ' A' ' 110' ' ' ALA . 16.3 m-85 -106.62 126.6 52.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -111.37 158.77 18.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.468 ' NZ ' ' HB2' ' A' ' 110' ' ' ALA . 54.7 mttm -147.76 145.59 28.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.624 HD13 ' HB3' ' A' ' 41' ' ' TRP . 6.5 mt -126.16 147.48 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 33.1 tt0 -152.41 149.84 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 97' ' ' GLN . . . -105.64 152.09 23.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -151.47 137.17 17.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 101' ' ' SER . 34.3 p30 -123.34 -177.66 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 100' ' ' ASN . 67.4 m -36.34 -45.44 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -62.9 -70.38 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -174.02 -151.41 8.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.438 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.87 173.95 6.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.48 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -119.21 -154.66 9.61 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 154.28 67.81 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 8.8 mmt -94.12 133.68 37.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.2 p -74.09 163.44 27.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -56.42 165.26 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.608 ' HB1' ' HB3' ' A' ' 93' ' ' TYR . . . -87.16 113.11 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.96 106.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -78.93 102.38 8.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -117.2 110.97 18.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -71.07 122.19 19.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.7 HG21 ' O ' ' A' ' 87' ' ' THR . 19.2 p -58.38 145.12 76.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.52 0.676 . . . . 0.0 111.182 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -163.87 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.707 2.272 . . . . 0.0 112.303 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.37 148.71 47.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.94 114.17 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.9 m -107.29 -179.98 4.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -140.2 68.61 0.48 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 122.17 8.86 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.4 t -58.63 148.35 29.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 t -96.78 115.15 26.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.525 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 t -62.92 162.28 11.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -155.44 136.98 14.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.793 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.56 -168.22 37.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.525 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -134.12 154.65 51.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -157.72 162.62 38.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.88 -134.35 2.84 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.7 p -93.54 170.91 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.728 0.299 . . . . 0.0 111.205 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.83 166.11 11.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -110.11 -50.52 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -143.94 118.45 1.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.7 p -89.34 42.68 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.378 . . . . 0.0 111.157 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.3 m -122.16 -56.34 1.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -86.88 141.59 28.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -133.85 179.63 6.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mt -138.43 118.07 13.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.3 m -58.36 150.76 52.56 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.67 0.748 . . . . 0.0 111.14 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 101.73 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -86.59 22.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.3 p -138.5 143.48 38.54 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.671 0.748 . . . . 0.0 110.851 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 161.41 46.03 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 179.32 3.73 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -130.93 178.27 6.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t70 53.32 34.33 17.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.516 HG11 HG21 ' A' ' 111' ' ' VAL . 67.6 t -73.13 117.36 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.6 p -136.97 146.66 45.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 39' ' ' VAL . 60.0 t -130.08 109.28 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.187 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.8 m -119.01 170.13 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.9 m -94.76 167.3 11.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -91.55 150.11 21.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -80.38 107.25 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.39 -46.97 1.08 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -114.46 123.24 32.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.55 0.69 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -46.35 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.724 2.283 . . . . 0.0 112.378 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -55.23 -43.39 74.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 m -71.56 129.93 39.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.42 HD11 ' CE2' ' A' ' 94' ' ' PHE . 8.0 pt -135.71 159.89 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.436 ' N ' HD12 ' A' ' 38' ' ' ILE . 5.0 mp -121.6 128.62 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.511 HG22 HG22 ' A' ' 27' ' ' VAL . 71.3 t -115.92 102.15 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -92.39 155.87 17.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.558 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 21.8 p90 -166.66 -176.6 3.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -147.78 159.09 41.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 149.55 66.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 149.4 66.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.282 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' GLU . 6.5 t -53.55 -53.01 57.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ALA . 64.8 mm-40 -36.04 -53.99 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 34.21 52.31 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -75.82 48.92 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 155.25 171.84 22.28 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -85.23 113.23 21.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.74 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 35.1 mm -67.17 140.66 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.9 p -111.1 -36.81 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -164.0 -164.17 18.57 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.74 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 10.8 m-85 -154.34 143.75 21.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.962 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.473 ' CG2' ' CZ ' ' A' ' 57' ' ' TYR . 59.1 mt -112.16 137.52 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.558 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 83.9 mt -113.83 137.73 46.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.473 ' CZ ' ' CG2' ' A' ' 55' ' ' ILE . 9.0 m-85 -125.68 125.78 43.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.553 ' CE2' HG11 ' A' ' 70' ' ' VAL . 3.8 p90 -140.44 143.51 35.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -163.56 156.52 18.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 75.9 p -78.02 0.95 22.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.515 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 16.4 t0 -119.93 119.93 34.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.804 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.16 -32.21 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -90.12 14.15 13.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.515 ' HB2' ' HB3' ' A' ' 61' ' ' ASP . . . -85.26 143.32 28.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.07 134.77 56.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.0 tp -42.89 -35.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.646 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.5 p-80 -62.58 -40.38 96.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.646 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 9.9 t0 -62.31 -33.4 74.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -59.31 134.31 56.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.553 HG11 ' CE2' ' A' ' 58' ' ' TYR . 3.3 p -59.89 149.46 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.622 HG22 ' HD3' ' A' ' 73' ' ' PRO . 89.9 mt -106.08 116.01 48.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.19 85.4 18.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.622 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.85 140.24 41.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.558 HG11 ' HB3' ' A' ' 78' ' ' ARG . 96.2 t -109.66 137.58 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -104.84 162.89 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.83 34.98 91.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 37.19 54.6 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.558 ' HB3' HG11 ' A' ' 74' ' ' VAL . 2.2 tpt180 -85.17 137.76 32.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 90.9 mt -93.46 4.11 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.6 t -138.88 148.25 43.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -140.61 140.02 35.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -104.88 132.04 51.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 71.9 mt -131.79 126.13 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -126.09 -177.28 3.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 64.15 49.94 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 mt -119.05 171.27 8.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.22 154.53 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.7 mt -104.66 162.78 12.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.8 t70 47.93 45.14 18.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.43 HG23 ' HD2' ' A' ' 91' ' ' PRO . 99.9 m -143.06 133.18 12.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.6 0.714 . . . . 0.0 111.115 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 90' ' ' THR . 53.5 Cg_endo -69.79 101.15 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -103.01 138.91 39.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.426 ' CE2' ' OE1' ' A' ' 112' ' ' GLN . 15.5 m-85 -109.07 136.96 47.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 37' ' ' ILE . 60.9 m-85 -122.13 160.13 25.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -145.75 149.9 35.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.557 HD13 ' HB3' ' A' ' 41' ' ' TRP . 11.0 mt -129.35 142.63 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 34.5 tt0 -139.08 148.04 42.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -116.12 140.72 49.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.545 ' NH2' ' N ' ' A' ' 54' ' ' TYR . 0.9 OUTLIER -138.52 150.48 46.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.872 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 102' ' ' LYS . 35.7 p30 -120.17 174.84 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.7 t -41.19 -24.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.8 OUTLIER -79.96 -71.93 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -165.07 -166.07 23.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.552 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.44 167.52 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.479 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -107.89 -158.19 20.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -164.15 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.249 . . . . 0.0 112.381 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 20.7 mmt -117.2 139.67 50.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 109' ' ' GLU . 5.1 t -76.38 177.2 7.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.434 ' N ' ' OG ' ' A' ' 108' ' ' SER . 17.1 mt-10 -76.15 136.36 39.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.9 113.61 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.516 HG21 HG11 ' A' ' 25' ' ' VAL . 85.7 t -87.27 102.9 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.426 ' OE1' ' CE2' ' A' ' 93' ' ' TYR . 22.6 tt0 -77.67 120.95 23.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -134.99 118.86 17.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -71.7 125.93 28.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 18.6 p -67.47 151.46 97.14 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.603 0.715 . . . . 0.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.268 . . . . 0.0 112.37 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.52 151.13 41.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -78.85 44.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -39.1 135.85 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -67.49 -91.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 151.76 68.93 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.639 2.226 . . . . 0.0 112.355 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.1 p -79.82 171.82 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.4 t -73.75 106.54 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t 49.01 42.14 20.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.815 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 t -65.39 108.65 2.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.04 174.91 47.93 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 p -124.36 -46.95 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 m -108.7 177.05 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -177.34 91.81 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 7' ' ' GLY . 15.0 t 37.26 35.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.768 0.318 . . . . 0.0 111.12 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.63 154.82 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -83.39 43.72 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.31 -178.77 31.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.5 p -134.98 113.4 11.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 111.139 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.1 m -62.14 -51.57 67.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -40.26 130.07 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -107.86 164.67 12.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 mt -133.84 117.79 17.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 m -56.48 147.22 50.6 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.569 0.7 . . . . 0.0 111.185 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 108.2 2.02 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -88.51 15.76 7.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.2 t -122.04 136.27 26.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.694 0.759 . . . . 0.0 110.838 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 166.69 26.72 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.714 2.276 . . . . 0.0 112.365 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 164.74 33.35 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.27 . . . . 0.0 112.348 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -127.02 177.38 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 51.91 42.45 30.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.625 HG11 HG21 ' A' ' 111' ' ' VAL . 54.3 t -72.55 107.6 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 p -127.88 139.61 52.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.599 HG13 HG22 ' A' ' 39' ' ' VAL . 25.5 t -129.99 113.25 25.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.77 168.81 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 t -108.89 144.68 36.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.799 ' HE2' HG21 ' A' ' 36' ' ' THR . 0.3 OUTLIER -55.34 151.85 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 27.3 tt0 -87.26 81.33 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 133.41 -25.05 3.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.11 111.26 26.79 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.531 0.681 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.442 ' CB ' ' HG2' ' A' ' 116' ' ' PRO . 53.9 Cg_endo -69.76 -40.88 4.8 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.64 2.227 . . . . 0.0 112.381 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -60.2 -16.34 32.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.799 HG21 ' HE2' ' A' ' 30' ' ' LYS . 76.6 m -106.29 136.12 46.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.49 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 23.0 pt -142.18 144.3 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 38' ' ' ILE . 4.4 mp -107.63 140.95 24.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.599 HG22 HG13 ' A' ' 27' ' ' VAL . 84.8 t -125.23 105.17 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -99.56 121.64 41.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.554 ' CE3' ' O ' ' A' ' 79' ' ' LEU . 42.2 p90 -129.65 179.12 6.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -134.44 154.75 79.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.606 0.717 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 153.23 69.44 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.721 2.28 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 150.05 67.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.0 t -63.16 -37.27 86.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -89.9 65.94 6.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -57.45 -45.07 85.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.08 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 40.21 25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . 167.33 155.36 9.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 tttp -72.55 110.45 6.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.781 0.324 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.682 HD13 ' OD1' ' A' ' 100' ' ' ASN . 17.3 mm -66.15 110.34 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.0 p -75.07 -41.91 57.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.173 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.627 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -167.23 -154.04 8.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.63 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 2.3 m-85 -156.78 158.85 37.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.838 0.352 . . . . 0.0 110.925 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.8 mt -128.78 143.19 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 62.1 mt -117.22 135.67 56.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -123.91 130.83 53.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.707 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 13.0 p90 -147.71 157.53 43.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 t -167.65 167.73 13.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 48.6 p -84.6 32.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 62' ' ' VAL . 27.2 t0 -169.88 152.21 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.487 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 5.6 p -103.09 -7.4 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -100.25 -16.66 17.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.27 142.11 13.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.9 OUTLIER -60.24 131.71 51.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' GLU . 10.7 tp -37.21 -34.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.693 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.1 p-80 -66.15 -45.07 82.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.693 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 18.9 m-20 -56.21 -30.76 62.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.524 ' CZ3' ' HE2' ' A' ' 95' ' ' LYS . 22.3 m95 -62.11 136.06 57.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.707 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 11.8 p -68.85 151.25 10.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.441 ' C ' ' OE1' ' A' ' 72' ' ' GLU . 65.3 mt -108.92 113.09 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.534 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -107.51 85.46 2.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.89 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 121.41 8.1 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.359 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.5 t -95.16 125.28 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.1 m -78.07 164.63 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.53 -177.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -86.41 42.38 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -84.74 135.07 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.554 ' O ' ' CE3' ' A' ' 41' ' ' TRP . 4.7 mt -105.47 8.81 33.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -126.81 139.67 52.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -134.2 142.66 47.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -114.98 105.54 13.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.5 mt -100.17 132.46 45.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.408 ' HG2' HG23 ' A' ' 36' ' ' THR . 5.3 mt-30 -123.78 -175.28 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 58.71 31.46 21.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.8 mt -92.09 159.59 15.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.547 ' O ' HG21 ' A' ' 115' ' ' THR . 1.1 m -77.79 167.52 21.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.485 ' H ' HG22 ' A' ' 87' ' ' THR . 6.1 mt -121.12 168.21 11.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.6 t70 47.14 33.99 2.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.812 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 94.0 m -142.59 131.43 11.77 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 121.46 8.16 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.368 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -119.42 130.84 55.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -101.3 125.09 47.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.49 ' CZ ' HD11 ' A' ' 37' ' ' ILE . 65.1 m-85 -109.73 153.09 24.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.524 ' HE2' ' CZ3' ' A' ' 69' ' ' TRP . 25.8 mtmt -137.54 139.31 40.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.422 HD13 ' HB3' ' A' ' 41' ' ' TRP . 12.9 mt -118.85 140.36 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -145.11 142.01 29.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -104.21 141.75 35.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.441 ' CB ' ' HG2' ' A' ' 104' ' ' MET . 19.0 ptt180 -144.91 148.63 34.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.682 ' OD1' HD13 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -122.71 -177.63 3.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.9 t -45.14 -42.04 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -60.26 -71.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -161.11 -152.16 6.51 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.441 ' HG2' ' CB ' ' A' ' 99' ' ' ARG . 33.1 mtm -112.04 159.63 18.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.29 -167.01 22.95 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.3 47.59 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.732 2.288 . . . . 0.0 112.311 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -77.25 154.2 33.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 109' ' ' GLU . 9.3 t -82.75 175.73 9.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.416 ' N ' ' OG ' ' A' ' 108' ' ' SER . 31.4 mm-40 -74.67 145.62 43.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.02 117.24 3.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.625 HG21 HG11 ' A' ' 25' ' ' VAL . 94.3 t -95.1 108.29 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -77.73 121.69 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -138.95 110.56 7.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -71.69 135.7 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.547 HG21 ' O ' ' A' ' 87' ' ' THR . 2.8 p -76.68 143.41 71.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.564 0.697 . . . . 0.0 111.114 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.442 ' HG2' ' CB ' ' A' ' 34' ' ' PRO . 53.6 Cg_endo -69.76 -163.66 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.411 ' HA ' ' CE ' ' A' ' 117' ' ' LYS . 5.1 mmpt? -136.89 163.42 30.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.16 39.26 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.1 p -71.76 -51.81 20.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 60.84 78.77 0.14 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -44.35 2.16 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.1 m -124.34 143.0 50.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.2 m -84.18 -50.84 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -129.97 95.82 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.832 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 m -67.18 133.82 50.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.1 105.85 0.37 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -168.0 168.28 12.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.843 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t 61.61 43.89 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.37 168.05 39.15 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.3 m -92.27 126.61 37.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 111.174 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.44 142.59 7.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.5 m80 65.15 43.34 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 55.04 -153.32 11.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -124.36 -56.82 1.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 111.144 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -96.97 108.42 21.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -61.55 130.42 45.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.487 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 4.1 mp0 -52.43 -178.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -143.75 110.04 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 m -52.24 153.86 4.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.686 0.755 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.474 ' HD3' ' ND2' ' A' ' 100' ' ' ASN . 53.3 Cg_endo -69.81 94.95 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.4 t -86.89 25.14 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.6 t -128.12 139.77 36.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.655 0.74 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 159.85 51.9 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.644 2.229 . . . . 0.0 112.384 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 171.53 14.23 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.401 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -125.59 -178.78 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 47.16 36.16 4.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.475 HG13 HD12 ' A' ' 96' ' ' ILE . 92.9 t -69.51 110.01 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.6 p -138.59 150.02 45.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.402 ' CG2' HG11 ' A' ' 111' ' ' VAL . 84.8 t -132.68 111.86 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 38' ' ' ILE . 17.4 m -104.96 -177.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 t -126.79 153.38 45.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -94.62 109.8 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -58.12 -39.29 78.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.33 -18.26 74.98 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.418 ' CE ' ' HB2' ' A' ' 35' ' ' LYS . 12.7 tptm -146.72 106.41 4.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.596 0.712 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -23.5 30.6 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HB2' ' CE ' ' A' ' 33' ' ' LYS . 62.7 mttm -87.35 3.28 47.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.1 m -127.47 153.6 46.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.538 HD11 ' CE2' ' A' ' 94' ' ' PHE . 8.5 pt -143.31 164.14 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.483 ' N ' HD12 ' A' ' 38' ' ' ILE . 4.6 mp -125.97 122.85 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.9 t -103.83 118.68 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.3 OUTLIER -107.08 146.7 30.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.546 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 28.7 p90 -163.23 -176.32 4.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -147.96 161.4 34.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.566 0.698 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.36 66.99 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.713 2.275 . . . . 0.0 112.345 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 158.3 57.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.395 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.9 t -69.78 -37.24 76.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.66 72.87 9.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -85.39 53.78 2.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -38.03 -28.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -138.5 147.5 19.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 tttm -53.4 138.45 33.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.442 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 24.0 mm -90.38 144.2 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.2 p -120.91 -30.1 4.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.8 -166.01 31.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.453 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.442 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 64.7 m-85 -148.34 163.69 36.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.686 HD11 ' HD3' ' A' ' 99' ' ' ARG . 28.2 mt -126.86 131.08 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 73.9 mt -109.42 140.12 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -126.29 123.5 38.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.537 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 1.8 p90 -139.08 150.3 45.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.6 t -170.65 164.0 8.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 78.9 p -87.65 45.86 1.32 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.486 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 2.7 m-20 -172.61 128.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.4 p -86.04 -36.55 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -90.28 25.21 2.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.486 ' HB2' ' HB3' ' A' ' 61' ' ' ASP . . . -94.89 132.36 39.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.477 ' HB2' ' CE1' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -47.66 131.68 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tp -43.81 -26.04 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.668 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.4 p-80 -65.56 -41.58 92.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.668 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 5.8 m-20 -64.94 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.453 ' CH2' ' HE3' ' A' ' 95' ' ' LYS . 16.2 m95 -62.86 143.01 58.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.537 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 5.2 p -76.34 153.03 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.405 HG22 ' HD3' ' A' ' 73' ' ' PRO . 78.7 mt -109.31 106.96 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -108.3 87.36 4.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HD3' HG22 ' A' ' 71' ' ' ILE . 54.0 Cg_endo -69.81 140.63 42.97 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.7 t -105.62 119.41 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -76.46 169.45 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.88 -171.39 0.13 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -91.54 43.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -85.78 141.51 29.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 13.8 mt -112.51 8.48 19.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.4 t -132.26 136.98 47.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -125.58 147.17 49.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -117.39 105.12 11.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.5 mt -100.9 125.23 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -114.0 -175.07 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.422 ' N ' ' CD ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER 60.5 44.7 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.4 mt -111.47 140.41 46.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.515 ' CG2' ' HB ' ' A' ' 90' ' ' THR . 0.6 OUTLIER -61.76 175.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.476 ' N ' HG23 ' A' ' 87' ' ' THR . 14.4 mt -111.05 165.58 11.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 88' ' ' LEU . 28.2 t0 35.82 54.97 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.515 ' HB ' ' CG2' ' A' ' 87' ' ' THR . 19.1 m -141.31 129.44 12.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.582 0.706 . . . . 0.0 111.154 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 109.32 2.28 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.743 2.295 . . . . 0.0 112.343 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.428 ' HE1' HG22 ' A' ' 87' ' ' THR . 9.1 m-85 -108.17 144.09 36.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -120.01 116.29 25.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.962 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.538 ' CE2' HD11 ' A' ' 37' ' ' ILE . 9.8 m-85 -107.61 156.91 18.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.453 ' HE3' ' CH2' ' A' ' 69' ' ' TRP . 12.9 mttp -141.49 128.11 20.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.475 HD12 HG13 ' A' ' 25' ' ' VAL . 30.7 mt -105.31 146.04 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 105' ' ' GLY . 19.7 tt0 -146.3 141.51 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -103.33 132.05 49.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.686 ' HD3' HD11 ' A' ' 55' ' ' ILE . 6.9 ptt180 -139.96 149.51 43.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.474 ' ND2' ' HD3' ' A' ' 18' ' ' PRO . 18.0 p30 -119.09 -177.6 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -54.77 -20.98 9.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.419 ' NZ ' ' HB2' ' A' ' 15' ' ' GLU . 17.9 mmtp -79.2 -72.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -151.75 -163.99 11.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.49 ' SD ' ' CD1' ' A' ' 55' ' ' ILE . 66.4 mtm -112.87 145.14 41.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.429 ' O ' ' NE2' ' A' ' 97' ' ' GLN . . . -90.57 -170.7 43.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 165.27 31.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.375 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 28.4 mtt -98.46 141.62 31.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.3 p -76.62 168.64 19.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -57.54 149.02 22.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.38 114.2 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.402 HG11 ' CG2' ' A' ' 27' ' ' VAL . 75.6 t -83.17 109.28 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.142 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -88.56 117.12 27.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -140.2 122.58 16.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -78.81 144.79 34.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 7.3 p -79.12 152.17 76.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.581 0.705 . . . . 0.0 111.151 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -163.95 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.334 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -136.59 161.05 36.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.4 -59.59 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.3 m -46.31 136.44 7.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -141.59 137.58 8.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -13.64 35.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 88.2 p -139.47 178.11 7.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 m -131.54 -49.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -150.44 108.36 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.368 . . . . 0.0 110.82 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -162.02 172.24 16.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.27 150.5 21.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 m -142.25 149.32 39.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 m -112.89 162.4 15.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.74 120.59 0.84 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.8 p -123.82 144.07 49.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 111.134 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 10' ' ' HIS . . . -68.22 -45.8 72.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 9' ' ' ALA . 32.2 p-80 44.24 42.11 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.19 -114.76 0.61 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.0 m -79.16 85.8 5.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 m -156.7 109.89 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -104.89 137.37 42.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.79 ' C ' HD22 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -72.42 167.07 21.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.79 HD22 ' C ' ' A' ' 15' ' ' GLU . 2.6 mm? -124.94 111.37 15.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.4 m -53.68 152.71 9.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 111.118 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 96.5 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -81.41 14.32 2.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 p -122.48 139.44 30.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 164.58 34.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.266 . . . . 0.0 112.341 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -172.2 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.625 2.217 . . . . 0.0 112.364 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -148.45 168.82 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 60.46 39.38 18.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.415 HG22 HD12 ' A' ' 96' ' ' ILE . 55.7 t -74.8 109.92 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.6 p -130.74 147.72 52.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.07 107.3 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.443 HG23 ' HB ' ' A' ' 38' ' ' ILE . 13.0 m -109.19 163.85 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.6 p -90.3 171.4 9.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HB2' HG22 ' A' ' 36' ' ' THR . 13.4 tptm -97.78 145.48 26.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 11.7 tp10 -80.81 107.74 13.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 117.4 -42.1 1.93 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HE2' ' CD ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -125.93 125.08 24.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 110.9 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -52.12 0.35 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.746 2.297 . . . . 0.0 112.325 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.476 ' CD ' ' HE2' ' A' ' 33' ' ' LYS . 51.4 mttt -46.73 -38.5 10.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.526 HG22 ' HB2' ' A' ' 30' ' ' LYS . 74.9 m -78.7 128.88 34.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.408 HD11 ' CE2' ' A' ' 94' ' ' PHE . 10.8 pt -137.13 147.73 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.443 ' HB ' HG23 ' A' ' 28' ' ' VAL . 4.9 mp -105.89 121.66 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.2 t -102.25 102.97 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.87 153.49 17.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.742 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 19.1 p90 -169.34 179.95 3.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -143.65 154.52 59.62 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.613 0.72 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 160.24 50.43 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.273 . . . . 0.0 112.34 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 141.96 46.66 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.716 2.278 . . . . 0.0 112.328 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -57.1 -34.35 68.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -87.47 72.43 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -80.2 60.02 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ALA . 92.4 m-20 -35.31 -33.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -128.58 -126.97 2.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -138.81 120.16 14.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.771 0.32 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.466 HG21 ' CE2' ' A' ' 54' ' ' TYR . 11.1 mm -78.15 119.42 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.03 2.63 5.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.6 137.68 5.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.466 ' CE2' HG21 ' A' ' 51' ' ' ILE . 26.0 m-85 -123.54 157.06 34.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.925 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.501 ' CD1' ' SD ' ' A' ' 104' ' ' MET . 11.2 mt -136.12 133.01 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.742 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 93.2 mt -115.86 126.19 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -111.83 124.52 52.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.546 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 2.2 p90 -138.18 149.8 46.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -170.12 174.24 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.8 p -96.57 36.65 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.471 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 2.9 m-20 -158.85 127.37 5.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.426 ' HB ' ' CE2' ' A' ' 93' ' ' TYR . 2.8 p -89.18 -31.56 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -95.92 27.79 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.471 ' HB2' ' HB3' ' A' ' 61' ' ' ASP . . . -101.92 142.53 33.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.555 ' OE1' ' CE1' ' A' ' 67' ' ' HIS . 47.8 mt-10 -61.66 137.94 58.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.4 tp -42.01 -26.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.555 ' CE1' ' OE1' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -56.71 -46.61 81.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -65.96 -33.7 76.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.806 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -61.69 138.83 58.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.546 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 8.1 p -76.61 153.56 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.418 HG22 ' HD3' ' A' ' 73' ' ' PRO . 55.4 mt -107.62 110.4 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -109.87 85.4 4.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.665 0.745 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.418 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.6 Cg_endo -69.81 125.79 12.53 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 38.3 t -90.52 148.04 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.0 m -107.31 171.18 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.66 38.16 14.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.523 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.1 p30 39.66 36.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.445 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 30.4 ttt180 -69.32 136.66 52.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.538 ' O ' ' CE3' ' A' ' 41' ' ' TRP . 40.8 mt -92.17 -3.18 55.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.7 t -127.53 139.53 52.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -132.92 133.7 43.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.43 ' N ' ' OE1' ' A' ' 82' ' ' GLN . 7.4 mp0 -97.12 119.37 35.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.7 mt -114.73 121.59 67.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -118.06 -175.66 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 59.79 33.4 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 86' ' ' LEU . 17.6 mt -93.96 164.36 13.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.55 ' O ' HG21 ' A' ' 115' ' ' THR . 12.6 m -88.39 140.87 29.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.471 HD21 ' HG3' ' A' ' 35' ' ' LYS . 10.6 mt -90.2 163.57 14.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 28.2 t70 49.15 44.22 22.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.9 m -148.72 125.74 5.49 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.562 0.696 . . . . 0.0 111.141 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 108.91 2.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -108.06 124.85 50.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.426 ' CE2' ' HB ' ' A' ' 62' ' ' VAL . 1.9 m-85 -87.6 126.23 34.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.408 ' CE2' HD11 ' A' ' 37' ' ' ILE . 77.0 m-85 -112.48 146.37 38.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.435 ' HZ1' ' HB2' ' A' ' 110' ' ' ALA . 24.1 mttm -135.06 151.32 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.532 HD13 ' HB3' ' A' ' 41' ' ' TRP . 19.7 mt -132.32 145.52 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -143.44 154.58 43.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.86 129.38 56.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -133.84 143.62 48.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -124.84 177.42 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.8 m -47.51 -21.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 3.6 mptt -81.0 -62.57 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -172.88 -151.29 7.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.501 ' SD ' ' CD1' ' A' ' 55' ' ' ILE . 5.5 mtm -123.19 158.55 30.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.84 -162.63 24.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 151.58 69.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -75.11 150.38 38.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.0 p -87.03 173.73 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -70.3 143.13 52.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.435 ' HB2' ' HZ1' ' A' ' 95' ' ' LYS . . . -68.84 120.81 15.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.5 t -96.27 107.35 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -78.15 100.72 6.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -110.67 115.55 29.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -72.29 120.07 17.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.55 HG21 ' O ' ' A' ' 87' ' ' THR . 19.4 p -60.07 146.44 82.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 111.103 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -163.62 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.295 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -140.75 161.82 36.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.77 40.85 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 96.5 p -137.81 129.6 28.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -168.69 -94.75 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 170.81 15.78 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 t -89.98 131.47 35.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.82 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.6 m -86.47 164.76 16.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.449 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -83.26 147.84 27.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 0.0 110.821 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -87.0 144.43 26.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.808 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.82 86.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 p -75.11 -53.46 8.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 t -87.34 84.13 7.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.29 -119.28 0.75 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -161.89 148.68 13.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.779 0.323 . . . . 0.0 111.128 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.2 145.31 31.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -68.65 156.7 37.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.98 58.11 1.83 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.443 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.5 p -49.58 126.33 13.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.3 p -103.45 -48.28 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -98.91 129.84 45.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.76 167.05 13.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 mp -121.91 109.6 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 m -41.24 154.2 0.23 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.717 . . . . 0.0 111.124 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.444 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 53.4 Cg_endo -69.77 100.03 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.3 t -84.35 26.36 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.8 t -131.67 136.53 28.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 157.49 60.14 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.302 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HG3' HG22 ' A' ' 96' ' ' ILE . 53.4 Cg_endo -69.83 156.18 63.81 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.649 2.233 . . . . 0.0 112.35 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -116.98 173.97 6.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.2 t0 60.7 33.51 20.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.479 HG13 HD12 ' A' ' 96' ' ' ILE . 96.9 t -69.32 116.02 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -142.81 139.77 31.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.535 HG22 HG22 ' A' ' 39' ' ' VAL . 94.2 t -127.8 111.04 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.7 m -109.49 179.58 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.0 p -119.59 147.33 44.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HB2' HD11 ' A' ' 38' ' ' ILE . 26.6 tttm -91.57 133.95 35.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 32' ' ' GLY . 52.5 tt0 -73.47 -66.64 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' GLU . . . -37.51 -35.51 0.2 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.5 ' CE ' ' HB2' ' A' ' 35' ' ' LYS . 1.3 tmtm? -141.91 118.91 7.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.594 0.711 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -39.29 6.53 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.652 2.235 . . . . 0.0 112.317 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.5 ' HB2' ' CE ' ' A' ' 33' ' ' LYS . 40.1 mttp -68.0 -2.35 7.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.0 m -114.2 138.53 50.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 94' ' ' PHE . 7.5 pt -135.41 159.25 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.727 ' N ' HD12 ' A' ' 38' ' ' ILE . 2.1 mp -121.5 137.04 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.535 HG22 HG22 ' A' ' 27' ' ' VAL . 91.1 t -127.35 116.14 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -103.07 158.16 16.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.602 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 27.1 p90 -170.29 178.2 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -138.72 159.38 67.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.9 66.31 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 139.21 39.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.715 2.277 . . . . 0.0 112.377 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.2 t -60.46 -39.3 87.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -87.51 77.2 8.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -106.35 68.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 47' ' ' ALA . 11.5 m-80 -35.2 -31.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -118.22 -152.16 9.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.437 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -114.11 137.86 51.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.755 0.312 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.9 mm -85.71 142.22 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.0 p -129.4 -31.2 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.2 179.2 38.53 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -140.47 167.93 21.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.351 . . . . 0.0 110.925 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.495 ' CG2' ' CZ ' ' A' ' 57' ' ' TYR . 61.7 mt -138.41 124.72 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.098 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.602 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 97.9 mt -104.91 140.32 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.495 ' CZ ' ' CG2' ' A' ' 55' ' ' ILE . 11.0 m-85 -125.54 129.81 50.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.537 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 3.0 p90 -144.1 141.07 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.0 t -157.95 146.54 19.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.825 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.9 p -53.68 -31.92 49.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -98.39 144.06 28.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.93 -16.58 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.071 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.53 -16.65 22.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.99 151.55 6.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' HIS . 31.3 mt-10 -74.41 136.92 42.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 65' ' ' GLU . 7.6 tp -36.12 -32.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' GLU . 2.3 m170 -54.68 -49.04 71.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.97 -36.21 83.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.503 ' CZ3' ' HE2' ' A' ' 95' ' ' LYS . 30.9 m95 -55.55 132.5 48.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.537 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 8.4 p -67.17 155.67 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.447 HG22 ' HD3' ' A' ' 73' ' ' PRO . 91.5 mt -110.55 109.58 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -108.07 86.18 3.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.617 0.722 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.447 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.7 Cg_endo -69.79 133.24 25.04 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.0 t -105.75 106.28 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.5 m -55.47 170.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.92 -165.5 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' ARG . 13.8 t30 -91.3 8.22 37.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' ASN . 8.2 ttm-85 -37.17 150.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.428 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 38.0 mt -120.19 6.23 10.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 t -135.57 150.14 49.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -137.94 146.76 43.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -117.54 96.47 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.408 HD13 ' CD2' ' A' ' 58' ' ' TYR . 64.3 mt -88.35 118.22 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -108.44 -177.93 3.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 59.78 41.54 18.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.1 mt -102.1 163.37 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.542 ' O ' HG21 ' A' ' 115' ' ' THR . 24.0 m -83.12 158.06 22.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.462 ' N ' HG22 ' A' ' 87' ' ' THR . 29.3 mt -104.76 161.05 14.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.432 ' HB2' ' NZ ' ' A' ' 117' ' ' LYS . 33.2 t70 43.4 46.0 5.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.6 m -142.6 130.74 11.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.571 0.7 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 107.18 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.724 2.283 . . . . 0.0 112.35 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -107.49 140.22 40.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -107.97 122.4 46.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.953 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.543 ' CZ ' ' CD1' ' A' ' 37' ' ' ILE . 82.3 m-85 -109.48 154.6 22.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.503 ' HE2' ' CZ3' ' A' ' 69' ' ' TRP . 26.1 mtmt -143.63 139.02 29.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.479 HD12 HG13 ' A' ' 25' ' ' VAL . 19.6 mt -111.55 146.34 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.436 ' CD ' ' HB3' ' A' ' 104' ' ' MET . 36.9 tt0 -153.07 140.58 19.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.57 156.7 17.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -153.66 148.94 27.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.6 p30 -128.04 -179.12 4.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.2 m -44.95 -23.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.89 -75.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -162.18 -158.95 9.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.436 ' HB3' ' CD ' ' A' ' 97' ' ' GLN . 19.4 mtm -96.11 173.48 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -117.41 -149.72 9.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.444 ' CD ' ' O ' ' A' ' 18' ' ' PRO . 53.4 Cg_endo -69.76 172.8 11.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 10.4 mtt -119.85 131.74 55.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 98.7 p -71.71 167.54 19.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.813 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -67.7 140.59 56.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.75 108.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.8 t -84.55 106.22 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -81.0 117.11 21.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -129.36 133.54 47.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -85.74 138.3 32.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.542 HG21 ' O ' ' A' ' 87' ' ' THR . 9.6 p -81.03 148.65 64.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 111.118 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -163.74 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 89' ' ' ASP . 5.8 mmpt? -137.5 152.15 49.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.06 -41.36 77.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.7 p -98.71 149.53 22.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.424 ' HA2' ' HD2' ' A' ' 121' ' ' PRO . . . 88.44 101.21 0.96 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.456 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.424 ' HD2' ' HA2' ' A' ' 120' ' ' GLY . 53.6 Cg_endo -69.74 110.56 2.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.632 2.222 . . . . 0.0 112.35 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 t -69.58 158.49 35.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.5 t -116.45 142.92 46.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.453 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 m -140.17 167.98 20.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 110.877 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 p -145.74 145.8 30.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.43 -59.54 2.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.538 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 t 51.61 45.16 28.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.845 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 m -108.86 -49.56 3.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.7 164.61 10.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.3 p -55.24 144.66 23.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.137 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.84 83.67 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -158.56 160.92 37.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.54 -84.64 0.34 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.9 m -97.0 93.18 6.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 111.182 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.4 m -105.14 141.08 37.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -102.71 97.0 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -123.08 155.12 37.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt -122.81 112.08 17.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.4 m -47.31 153.6 0.92 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.618 0.723 . . . . 0.0 111.17 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 104.49 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.5 t -85.79 24.88 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 t -132.37 138.27 31.83 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.628 0.728 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 167.45 24.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.719 2.279 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 179.41 3.74 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.296 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.63 -179.94 6.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.7 t0 48.26 43.53 19.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.459 HG22 HD12 ' A' ' 96' ' ' ILE . 49.7 t -73.41 117.98 18.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 p -139.15 141.84 38.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.4 t -130.89 113.96 25.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.0 m -122.8 165.58 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.4 p -93.44 158.52 15.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.519 ' HB2' HD11 ' A' ' 38' ' ' ILE . 22.3 tttm -90.08 138.96 31.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -75.53 114.25 13.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.73 -45.53 1.28 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.83 117.46 28.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.596 0.712 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -51.82 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -48.72 -23.0 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.413 HG21 ' HD3' ' A' ' 30' ' ' LYS . 89.1 m -93.57 141.06 28.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.089 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.498 ' C ' HD12 ' A' ' 38' ' ' ILE . 7.2 pt -144.05 157.6 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.641 ' N ' HD12 ' A' ' 38' ' ' ILE . 3.3 mp -118.9 135.18 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 82.6 t -124.09 108.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -99.41 157.54 16.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.509 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 36.3 p90 -161.17 179.66 8.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -139.13 152.73 70.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 150.94 68.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 143.91 52.54 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.353 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.3 m -62.84 -23.68 67.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -102.43 73.82 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.31 64.47 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -38.61 -35.75 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -113.83 -173.62 18.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -93.71 137.81 32.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.716 0.294 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.419 HG21 ' OH ' ' A' ' 54' ' ' TYR . 10.1 mm -79.31 138.81 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.172 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.2 p -123.01 -36.7 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.63 -176.9 36.02 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.419 ' OH ' HG21 ' A' ' 51' ' ' ILE . 82.7 m-85 -140.22 169.64 17.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 0.0 110.861 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.582 HD11 ' HD3' ' A' ' 99' ' ' ARG . 52.5 mt -138.57 136.15 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.135 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.509 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 95.0 mt -117.53 132.5 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 3.0 m-85 -118.69 121.58 40.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.707 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 5.7 p90 -135.53 137.6 42.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.1 t -156.03 151.94 27.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.3 p -62.15 -29.12 70.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -93.34 151.26 19.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.3 p -109.35 -20.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -99.22 -15.09 19.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.24 142.52 42.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -61.26 136.13 57.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.8 tp -42.04 -27.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -54.49 -46.61 73.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.24 -34.36 76.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -55.94 126.84 27.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.707 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 8.7 p -60.47 153.06 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 53.3 mt -110.04 112.11 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -107.19 84.54 1.72 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.58 0.705 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 133.4 25.38 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.313 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.529 HG11 ' HB3' ' A' ' 78' ' ' ARG . 22.5 t -114.36 150.33 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.0 m -122.68 -176.31 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 78' ' ' ARG . . . 56.31 41.6 87.5 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 76' ' ' GLY . 25.2 p30 36.95 31.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.529 ' HB3' HG11 ' A' ' 74' ' ' VAL . 3.7 tpt85 -65.07 134.93 54.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.466 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 64.1 mt -100.76 2.67 41.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 t -138.41 146.82 42.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -132.13 136.81 47.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -104.58 101.71 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.8 mt -96.26 143.45 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.11 -178.77 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 62.51 47.83 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.8 mt -112.99 165.72 12.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.727 ' O ' HG21 ' A' ' 115' ' ' THR . 1.3 m -85.56 150.57 24.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mt -99.41 172.79 7.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.1 t0 44.82 32.2 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.5 m -141.02 123.78 9.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 111.187 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.78 3.49 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.331 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -105.59 139.98 39.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -103.68 125.4 50.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -111.84 170.35 8.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -152.79 140.6 20.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' A' ' 41' ' ' TRP . 16.9 mt -118.56 150.2 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -159.62 149.41 18.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -110.48 146.47 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.582 ' HD3' HD11 ' A' ' 55' ' ' ILE . 6.8 ptt180 -150.94 151.87 32.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 101' ' ' SER . 34.0 p30 -124.6 172.96 8.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 100' ' ' ASN . 50.2 m -36.18 -36.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -65.64 -74.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -163.08 -165.16 19.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.463 ' HA ' ' CB ' ' A' ' 99' ' ' ARG . 0.9 OUTLIER -100.58 160.34 14.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.45 -156.4 21.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 152.01 69.1 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 18.3 mtt -91.2 154.61 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 109' ' ' GLU . 6.3 t -93.75 177.5 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.439 ' N ' ' OG ' ' A' ' 108' ' ' SER . 21.6 mt-10 -71.97 153.97 41.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.75 116.27 10.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.427 HG21 HG11 ' A' ' 25' ' ' VAL . 90.1 t -82.46 111.68 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.26 115.06 23.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -137.16 119.84 16.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.1 ttp85 -75.08 138.37 42.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.727 HG21 ' O ' ' A' ' 87' ' ' THR . 7.8 p -76.72 147.04 77.44 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.614 0.721 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -163.67 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.656 2.237 . . . . 0.0 112.322 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -139.55 162.93 33.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.2 44.3 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.6 t -111.35 105.22 13.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.82 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 154.95 164.57 13.12 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -179.27 2.76 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.729 2.286 . . . . 0.0 112.328 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.4 p -82.13 -51.99 7.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.7 p -153.74 119.89 5.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -162.87 154.03 17.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 m -157.42 171.41 20.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.46 92.17 0.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 m -40.72 116.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -42.07 123.95 2.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.13 125.63 8.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.4 m -71.95 -49.31 38.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 111.183 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.18 172.73 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -133.79 132.06 40.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.11 149.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.2 m -118.58 140.25 50.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 111.179 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 m -92.35 99.2 12.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.48 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 4.6 p90 -119.11 165.13 14.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -147.84 159.92 43.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 mt -127.07 115.35 19.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 m -52.26 151.56 7.01 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.654 0.74 . . . . 0.0 111.131 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 99.95 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.391 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 t -81.67 16.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 p -128.74 141.65 42.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.679 0.752 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.01 25.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -170.3 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.675 2.25 . . . . 0.0 112.308 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -143.8 172.78 12.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 53.91 42.22 31.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.456 HG11 HG21 ' A' ' 111' ' ' VAL . 53.4 t -75.39 113.7 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 p -130.23 142.62 50.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.2 t -131.0 107.76 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.27 172.63 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 m -113.47 141.89 46.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.637 ' HD3' HD11 ' A' ' 38' ' ' ILE . 2.1 tppt? -75.67 152.29 37.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -84.48 -58.44 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.26 -31.49 6.36 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.16 132.79 12.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -39.24 6.67 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.665 2.243 . . . . 0.0 112.309 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -70.2 -36.21 74.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.486 ' CG2' ' HE2' ' A' ' 30' ' ' LYS . 82.2 m -66.24 122.77 18.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 pt -130.39 156.44 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.637 HD11 ' HD3' ' A' ' 30' ' ' LYS . 4.1 mp -117.75 137.01 53.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.6 t -122.19 108.18 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -103.92 160.69 14.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.536 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 36.1 p90 -169.43 179.31 3.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -135.51 154.72 78.55 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.594 0.712 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 145.88 58.49 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.274 . . . . 0.0 112.351 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 161.58 45.39 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.669 2.246 . . . . 0.0 112.3 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.3 p -74.52 -37.77 62.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.75 47.6 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -40.22 -38.47 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 39.44 25.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . 160.49 173.05 28.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -86.16 121.48 28.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.812 HG21 ' OH ' ' A' ' 54' ' ' TYR . 29.9 mm -67.87 130.2 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.1 p -106.4 -42.42 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.429 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -163.43 -173.21 31.87 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.812 ' OH ' HG21 ' A' ' 51' ' ' ILE . 10.8 m-85 -143.04 158.29 43.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.898 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.474 HD11 ' NH1' ' A' ' 99' ' ' ARG . 16.5 mt -131.87 141.76 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.48 HD11 ' CH2' ' A' ' 41' ' ' TRP . 34.2 mt -118.3 135.49 58.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.443 ' CE1' HG22 ' A' ' 55' ' ' ILE . 5.6 m-85 -123.73 129.1 50.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.695 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 8.2 p90 -140.24 165.9 26.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -172.68 171.86 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.4 p -89.11 9.42 25.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.159 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -149.25 138.24 21.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.5 p -91.93 -18.1 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -97.55 32.96 2.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.4 149.6 26.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 68' ' ' ASP . 12.9 mp0 -62.06 130.04 43.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 65' ' ' GLU . 10.0 tp -34.27 -37.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.663 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.0 p-80 -60.08 -47.76 84.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.663 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 10.6 t0 -51.99 -34.94 44.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.527 ' CZ3' ' HD2' ' A' ' 95' ' ' LYS . 38.8 m95 -61.29 146.77 46.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.807 HG13 ' OE1' ' A' ' 72' ' ' GLU . 10.1 p -81.22 150.87 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 75.9 mt -104.01 114.51 43.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.807 ' OE1' HG13 ' A' ' 70' ' ' VAL . 2.5 mp0 -112.85 87.08 9.63 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.637 0.732 . . . . 0.0 110.809 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 134.0 26.84 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.634 2.222 . . . . 0.0 112.329 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 26.9 t -109.91 97.6 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.4 m -53.98 155.2 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.5 165.03 0.2 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -73.53 73.2 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.817 0.341 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.467 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 3.6 tpt180 -108.36 138.15 45.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.536 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 6.6 mt -107.29 1.55 23.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.5 t -128.28 149.43 50.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -139.41 148.28 42.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -126.34 107.65 10.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 74.2 mt -103.97 140.42 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.421 ' HG2' HG23 ' A' ' 36' ' ' THR . 41.3 mt-30 -128.81 179.36 5.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 62.87 32.91 15.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.8 mt -91.02 176.68 6.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.457 ' O ' HG21 ' A' ' 115' ' ' THR . 0.6 OUTLIER -96.38 166.68 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.426 ' H ' HG22 ' A' ' 87' ' ' THR . 3.4 mt -117.94 171.04 8.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.1 t70 44.97 32.98 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 95.0 m -138.32 127.58 14.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.715 . . . . 0.0 111.136 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 102.8 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.712 2.274 . . . . 0.0 112.328 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -102.05 127.99 48.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -99.2 135.23 40.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -122.95 146.91 47.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.527 ' HD2' ' CZ3' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -136.48 128.48 29.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.506 HD13 ' HB3' ' A' ' 41' ' ' TRP . 17.8 mt -97.44 153.88 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.431 ' N ' HG22 ' A' ' 96' ' ' ILE . 30.0 tt0 -152.11 137.32 17.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.51 150.32 22.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.474 ' NH1' HD11 ' A' ' 55' ' ' ILE . 12.4 ttp180 -146.04 138.79 25.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -118.86 -177.88 3.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.2 m -43.15 -32.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -74.56 -70.82 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -167.98 -153.53 8.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.26 160.73 15.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -108.71 -160.78 19.99 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.74 45.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -74.55 144.21 44.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.0 p -66.63 174.11 3.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.67 150.81 46.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.68 107.3 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.456 HG21 HG11 ' A' ' 25' ' ' VAL . 91.3 t -83.62 101.06 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -76.74 113.59 14.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -132.95 115.56 15.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -73.65 135.69 43.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.457 HG21 ' O ' ' A' ' 87' ' ' THR . 3.1 p -80.23 146.6 62.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.601 0.715 . . . . 0.0 111.141 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -164.04 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.357 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -138.13 159.25 42.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.02 -56.05 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 m -68.97 127.58 33.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 170.45 -166.52 39.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 94.8 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.369 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.4 t -120.19 88.28 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.8 t -133.05 124.64 28.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.958 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p 42.55 40.86 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 p -159.28 154.75 25.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.77 51.81 3.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -77.82 152.44 33.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 0.0 110.83 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 m -49.91 101.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.73 -95.62 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.7 p -73.55 110.19 7.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.771 0.319 . . . . 0.0 111.156 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.82 -179.25 5.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -91.55 55.47 2.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 132.16 173.62 13.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.1 m -72.42 -56.55 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 0.0 111.079 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.5 m -96.9 127.89 43.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -131.54 133.34 44.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.461 ' HB2' ' CE ' ' A' ' 102' ' ' LYS . 16.2 mt-10 -121.8 165.71 15.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.2 mt -146.72 112.26 5.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.8 m -51.08 148.47 7.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 102.06 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.709 2.272 . . . . 0.0 112.342 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.4 t -84.27 21.08 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.2 p -134.4 143.34 46.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.688 0.756 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 163.55 37.88 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.616 2.211 . . . . 0.0 112.385 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -177.38 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.68 2.254 . . . . 0.0 112.334 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -142.6 178.72 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 t70 50.55 43.42 27.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.662 HG11 HG21 ' A' ' 111' ' ' VAL . 72.7 t -76.7 128.9 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 p -150.06 145.14 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.8 t -127.29 105.66 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 38' ' ' ILE . 31.4 m -106.34 167.2 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 p -110.26 161.33 15.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -98.13 135.74 39.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.19 -62.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -41.1 -39.21 2.01 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -138.71 130.44 15.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.543 0.687 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -51.69 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -54.43 -35.17 62.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.2 m -73.37 138.18 45.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.581 HD11 ' CE2' ' A' ' 94' ' ' PHE . 11.7 pt -139.11 159.02 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.52 ' O ' HG22 ' A' ' 28' ' ' VAL . 5.1 mp -126.03 118.2 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.43 HG12 ' HE3' ' A' ' 41' ' ' TRP . 87.5 t -95.52 112.39 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -103.49 124.66 49.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.576 ' CH2' HD11 ' A' ' 56' ' ' ILE . 26.6 p90 -142.18 -175.34 4.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -145.33 161.35 42.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 152.42 69.33 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.387 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 138.1 36.95 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.716 2.278 . . . . 0.0 112.321 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -47.75 -34.45 8.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -85.47 86.31 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.82 67.22 1.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -75.89 49.39 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 155.59 176.72 28.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.78 118.45 29.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.527 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 29.0 mm -67.06 125.57 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.4 p -94.43 -30.89 14.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.578 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -178.04 -167.95 36.79 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.583 ' CD1' ' N ' ' A' ' 54' ' ' TYR . 0.1 OUTLIER -149.17 150.43 32.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 0.0 110.917 -179.839 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.5 mt -123.05 142.03 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.576 HD11 ' CH2' ' A' ' 41' ' ' TRP . 35.2 mt -121.58 137.28 55.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -121.55 129.75 53.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.514 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 3.1 p90 -143.76 151.05 39.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -174.27 161.94 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 68.0 p -82.64 46.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.434 ' CB ' ' HB2' ' A' ' 64' ' ' ALA . 2.5 m-20 -165.93 137.83 3.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.39 -23.05 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -98.37 -13.17 20.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.435 ' HB1' ' OD2' ' A' ' 68' ' ' ASP . . . -53.35 131.9 38.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' ASP . 0.9 OUTLIER -46.31 134.94 8.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 67' ' ' HIS . 8.2 tp -41.5 -40.54 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.654 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 0.8 OUTLIER -62.54 -37.76 87.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.654 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 34.2 t0 -59.27 -28.2 66.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.41 ' CZ2' ' O ' ' A' ' 61' ' ' ASP . 11.8 m95 -70.76 131.8 44.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.514 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 3.8 p -58.01 149.83 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.081 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.596 HG22 ' HD3' ' A' ' 73' ' ' PRO . 88.0 mt -105.85 108.09 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -107.18 84.3 1.64 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.643 0.735 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.596 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.0 Cg_endo -69.77 135.45 30.46 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.267 . . . . 0.0 112.304 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.502 HG11 ' HB3' ' A' ' 78' ' ' ARG . 58.4 t -106.56 113.49 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.0 m -70.98 155.93 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.94 176.31 0.76 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.429 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -81.04 77.83 7.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.781 0.324 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.502 ' HB3' HG11 ' A' ' 74' ' ' VAL . 5.0 tpt180 -112.94 148.8 34.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.534 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 89.6 mt -117.55 4.55 12.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.44 146.52 44.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -134.86 154.78 51.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -120.86 114.05 21.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 45.5 mt -111.6 143.81 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -134.54 -174.57 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 63.89 34.73 11.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.2 mt -107.65 140.85 40.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.518 ' CG2' ' HB ' ' A' ' 90' ' ' THR . 0.6 OUTLIER -65.09 169.98 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.165 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 89' ' ' ASP . 21.5 mt -104.7 171.56 7.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 88' ' ' LEU . 33.8 t70 32.49 54.26 0.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.518 ' HB ' ' CG2' ' A' ' 87' ' ' THR . 3.3 m -140.8 132.66 14.05 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.584 0.706 . . . . 0.0 111.13 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 112.16 3.01 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.492 ' HE1' HG22 ' A' ' 87' ' ' THR . 10.9 m-85 -116.93 141.71 47.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -113.19 125.48 54.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.581 ' CE2' HD11 ' A' ' 37' ' ' ILE . 67.7 m-85 -110.67 149.07 30.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -134.98 136.3 42.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.456 HD12 HG22 ' A' ' 25' ' ' VAL . 21.6 mt -116.76 154.68 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.447 ' N ' HG22 ' A' ' 96' ' ' ILE . 25.3 tt0 -161.03 142.62 11.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -101.57 130.92 47.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.4 ptt-85 -130.71 140.86 50.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 0.3 OUTLIER -118.79 177.76 4.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.1 t -45.69 -37.17 5.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.461 ' CE ' ' HB2' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -62.93 -72.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.16 -147.42 4.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.7 mtm -117.4 159.35 22.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.789 0.328 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -104.69 -167.61 24.42 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 149.5 67.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.375 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 10.7 mmt -82.06 136.81 35.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.2 p -72.03 173.32 8.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -74.22 132.97 42.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -43.06 140.29 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.662 HG21 HG11 ' A' ' 25' ' ' VAL . 97.4 t -114.85 102.33 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -76.28 121.74 23.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -141.12 116.78 10.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -75.22 126.61 31.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.419 HG21 ' O ' ' A' ' 87' ' ' THR . 1.3 p -59.9 151.56 63.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.574 0.702 . . . . 0.0 111.119 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -163.82 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.747 2.298 . . . . 0.0 112.351 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.535 ' HA ' ' HZ3' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -136.31 155.6 49.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.18 51.63 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.7 m -137.46 114.3 10.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -135.88 64.57 0.58 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 177.76 5.28 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.654 2.236 . . . . 0.0 112.361 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.0 m -46.66 139.7 5.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.3 t -95.26 -61.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.448 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 p -166.42 171.66 11.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.886 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 m -52.05 163.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.55 108.21 0.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 m -107.5 116.99 32.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -155.0 120.93 5.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.91 137.98 4.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.3 p -106.64 107.34 18.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.072 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 10' ' ' HIS . . . -144.38 128.97 18.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.076 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' ALA . 13.1 p80 -35.65 -39.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.797 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.65 -178.4 42.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.568 ' HB ' ' CE1' ' A' ' 14' ' ' PHE . 46.8 p -91.36 109.07 20.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 111.139 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.7 p -82.76 7.31 15.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 12' ' ' THR . 3.4 p90 -105.88 161.68 14.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -119.44 163.64 16.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt -129.52 110.36 11.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.459 HG12 ' H ' ' A' ' 103' ' ' GLY . 16.5 m -45.55 152.26 0.7 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 111.14 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.413 ' HD3' ' ND2' ' A' ' 100' ' ' ASN . 53.7 Cg_endo -69.75 108.54 2.1 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 p -89.03 13.88 11.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -126.34 138.5 32.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.844 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 169.16 19.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.353 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -177.54 1.93 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -146.92 171.91 14.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 46.1 53.97 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.5 t -85.53 112.37 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -126.4 148.68 49.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.3 t -132.99 117.69 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.4 m -120.67 174.56 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.1 t -120.08 146.29 46.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -57.99 154.8 11.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -88.61 -6.94 57.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.19 8.97 4.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 18.8 tptm -154.03 105.02 2.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 53.8 Cg_endo -69.74 -41.37 4.36 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.274 . . . . 0.0 112.348 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -66.94 -8.21 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 83' ' ' ILE . 36.3 m -113.77 138.29 50.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.1 pt -136.23 156.46 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 mp -118.87 118.66 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.5 t -98.99 105.22 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -97.68 125.78 42.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.631 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 40.3 p90 -135.13 -177.32 4.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -144.94 142.51 18.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 0.0 110.951 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.443 ' N ' ' HG3' ' A' ' 42' ' ' GLN . 53.7 Cg_endo -69.73 163.16 39.27 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 157.24 60.92 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.291 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -81.27 14.82 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 47' ' ' ALA . 21.9 mt-10 -110.38 -52.33 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 33.97 45.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' ALA . 74.6 m-20 -36.29 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -132.71 164.13 24.06 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -62.88 115.36 4.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.902 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 13.7 mm -70.36 116.08 10.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.7 p -81.12 -26.29 36.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.434 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . 172.03 -164.78 37.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.902 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 8.0 m-85 -148.11 153.25 38.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.842 0.353 . . . . 0.0 110.938 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.4 mt -119.57 144.59 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.631 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 86.5 mt -123.57 132.97 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -116.81 114.41 23.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.796 ' CE2' HG11 ' A' ' 70' ' ' VAL . 9.7 p90 -121.37 144.1 48.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.464 ' HB2' ' CD2' ' A' ' 69' ' ' TRP . 2.2 m -169.38 148.55 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.877 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.5 p -64.36 -26.1 68.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.541 ' O ' ' CZ2' ' A' ' 69' ' ' TRP . 1.0 OUTLIER -91.49 138.23 31.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.531 ' HB ' ' CZ ' ' A' ' 93' ' ' TYR . 14.5 p -99.64 -11.43 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -110.09 -22.69 11.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.27 134.59 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' HIS . 2.3 mp0 -47.43 127.64 11.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.0 tp -40.89 -25.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.177 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.635 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.0 p-80 -69.73 -43.54 72.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.635 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 38.8 t70 -60.67 -30.27 69.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.541 ' CZ2' ' O ' ' A' ' 61' ' ' ASP . 16.9 m95 -60.79 154.31 22.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.796 HG11 ' CE2' ' A' ' 58' ' ' TYR . 7.3 p -81.03 155.6 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.188 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.538 HG22 ' HD3' ' A' ' 73' ' ' PRO . 97.1 mt -109.63 111.62 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -107.63 86.63 2.97 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.538 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.9 Cg_endo -69.77 130.48 19.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 99.8 t -107.15 98.34 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.4 m -53.36 167.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.64 -175.09 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -88.06 26.7 1.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.475 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 1.0 OUTLIER -53.17 144.96 14.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 26.0 mt -112.45 2.42 16.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.08 149.58 46.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -125.41 153.81 42.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -125.08 96.93 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 36' ' ' THR . 33.5 mt -94.33 145.81 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.23 176.55 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 58.34 53.8 6.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.2 mt -115.72 162.49 17.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.712 ' O ' HG21 ' A' ' 115' ' ' THR . 1.1 m -81.51 153.26 26.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.4 mt -106.05 171.27 7.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.429 ' HB2' ' NZ ' ' A' ' 117' ' ' LYS . 22.3 t70 45.39 41.64 6.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.6 m -147.65 131.07 8.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.538 0.685 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 110.58 2.58 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.343 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -105.77 140.89 38.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.531 ' CZ ' ' HB ' ' A' ' 62' ' ' VAL . 26.9 m-85 -105.03 140.35 38.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -128.31 148.69 50.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 110' ' ' ALA . 62.9 mttm -140.47 127.96 21.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.494 HD13 ' CG ' ' A' ' 41' ' ' TRP . 88.8 mt -109.62 153.57 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.42 ' N ' HG22 ' A' ' 96' ' ' ILE . 18.9 tt0 -156.37 139.15 15.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.45 127.26 46.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.456 ' CB ' ' HA ' ' A' ' 104' ' ' MET . 17.3 ptt180 -133.86 153.94 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.463 ' OD1' HD13 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -122.33 -177.28 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 64.7 m -48.4 -36.71 15.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.421 ' N ' ' HE2' ' A' ' 102' ' ' LYS . 0.5 OUTLIER -68.89 -72.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.459 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -158.64 -168.61 21.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.456 ' HA ' ' CB ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -103.77 170.67 7.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 110.849 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -112.8 -156.62 12.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 150.36 68.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 30.0 mtt -93.07 139.61 30.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.1 p -76.44 166.34 23.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -63.37 157.65 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.415 ' HB2' ' HE2' ' A' ' 95' ' ' LYS . . . -71.06 112.06 6.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 55.4 t -84.13 102.58 10.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -76.73 112.41 13.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -126.99 117.98 23.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -72.14 133.18 45.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.712 HG21 ' O ' ' A' ' 87' ' ' THR . 1.6 p -72.81 150.25 90.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -163.59 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.429 ' NZ ' ' HB2' ' A' ' 89' ' ' ASP . 6.3 mmpt? -141.91 154.98 45.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -83.08 130.56 35.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 66.9 m -134.55 138.87 44.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -79.16 -81.24 0.73 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 89.68 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.642 2.228 . . . . 0.0 112.305 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.6 t -112.37 122.64 48.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 124' ' ' GLY . 32.6 p -53.41 149.34 7.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.824 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 123' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -140.05 145.84 38.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -136.42 146.48 46.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.83 67.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -72.83 172.33 11.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -124.11 146.47 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 113.83 170.26 17.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 7' ' ' GLY . 9.1 t -35.63 140.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.79 0.329 . . . . 0.0 111.181 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.14 177.35 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -143.16 163.61 32.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.72 -127.96 9.31 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 102' ' ' LYS . 71.4 p -64.41 100.51 0.36 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 111.181 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.529 HG23 ' N ' ' A' ' 14' ' ' PHE . 10.0 t -109.65 -46.97 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.529 ' N ' HG23 ' A' ' 13' ' ' THR . 0.3 OUTLIER -134.91 36.5 3.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.613 ' C ' HD22 ' A' ' 16' ' ' LEU . 19.3 mt-10 -148.83 138.43 21.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.613 HD22 ' C ' ' A' ' 15' ' ' GLU . 2.2 mm? -115.34 117.99 31.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.6 m -57.17 154.11 22.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.672 0.748 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 97.03 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 0.0 112.325 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.5 p -82.83 19.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -123.47 132.69 24.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.55 37.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 175.48 8.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.375 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -131.28 177.71 7.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.4 t0 50.63 37.28 15.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.08 104.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.1 p -133.08 147.3 52.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.602 HG13 HG22 ' A' ' 39' ' ' VAL . 42.5 t -126.59 110.99 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 38' ' ' ILE . 19.4 m -112.24 166.37 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.1 p -110.93 166.7 10.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -100.43 137.71 38.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -69.1 -62.52 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -44.89 -37.39 5.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -136.73 129.5 17.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.554 0.692 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -49.6 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -54.63 -41.99 70.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.4 m -67.59 134.55 51.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.4 pt -139.49 149.84 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.681 ' O ' HG22 ' A' ' 28' ' ' VAL . 4.0 mp -115.38 123.24 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.672 ' CG1' HD11 ' A' ' 96' ' ' ILE . 94.5 t -106.5 115.46 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.57 162.74 13.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 28.2 p90 -174.99 -176.11 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -147.32 157.98 44.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.573 0.702 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 152.45 69.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.344 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 133.5 25.61 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.637 2.225 . . . . 0.0 112.341 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.1 m -46.69 -38.63 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -90.28 92.96 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 48' ' ' ASN . . . -102.12 65.22 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' ALA . 81.9 m-20 -35.85 -40.62 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.8 -142.69 5.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.23 129.86 56.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.732 0.301 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.542 HD13 ' OD1' ' A' ' 100' ' ' ASN . 14.5 mm -80.0 110.62 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.179 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.1 p -83.93 -38.02 21.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.55 -175.09 35.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.506 ' CE2' HG21 ' A' ' 51' ' ' ILE . 1.2 m-85 -138.72 148.91 44.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.921 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.785 HD12 ' OE1' ' A' ' 97' ' ' GLN . 47.7 mt -119.12 139.61 45.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.0 mt -118.63 133.77 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.186 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -119.49 130.68 55.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.679 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 2.1 p90 -147.75 148.02 30.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.2 t -174.13 132.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.0 p -42.87 -34.66 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.176 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -91.38 131.16 37.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 p -95.45 -25.14 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -85.35 -15.79 42.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.81 149.83 10.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 67' ' ' HIS . 8.8 mp0 -62.66 134.78 56.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.431 HD11 ' SD ' ' A' ' 107' ' ' MET . 10.1 tp -38.9 -28.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.664 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 0.9 OUTLIER -68.71 -45.25 72.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.664 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 3.9 t70 -56.78 -24.21 48.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.474 ' CZ3' ' HE3' ' A' ' 95' ' ' LYS . 13.3 m95 -70.12 132.6 46.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.679 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 8.5 p -64.44 146.35 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.432 HG22 ' HD3' ' A' ' 73' ' ' PRO . 48.4 mt -103.49 109.67 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -107.21 84.66 1.77 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.594 0.712 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.432 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.6 Cg_endo -69.7 132.13 22.78 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.501 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 85.1 t -106.74 109.24 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.97 157.71 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.93 -178.48 2.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -85.89 43.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.501 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 4.1 tpt180 -74.59 137.22 42.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.7 mt -105.9 8.29 32.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 t -136.4 154.13 50.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -140.85 149.74 42.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -114.42 105.03 12.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.827 HG22 HD11 ' A' ' 86' ' ' LEU . 84.3 mt -106.98 112.26 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -118.08 -175.95 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 63.37 48.36 3.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.827 HD11 HG22 ' A' ' 83' ' ' ILE . 13.4 mt -119.43 168.08 11.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.577 ' O ' HG21 ' A' ' 115' ' ' THR . 2.4 m -79.65 150.51 30.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 20.3 mt -99.76 165.29 11.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.1 t0 44.35 44.14 6.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.587 HG23 ' HD2' ' A' ' 91' ' ' PRO . 87.3 m -143.34 137.06 14.32 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.556 0.693 . . . . 0.0 111.155 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 90' ' ' THR . 53.5 Cg_endo -69.75 121.46 8.16 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -122.1 142.44 50.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.475 ' HB3' ' HB1' ' A' ' 110' ' ' ALA . 5.9 m-85 -113.44 125.42 54.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -117.09 150.36 38.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.474 ' HE3' ' CZ3' ' A' ' 69' ' ' TRP . 5.4 mtmp? -140.61 127.94 21.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.672 HD11 ' CG1' ' A' ' 39' ' ' VAL . 53.1 mt -107.49 144.96 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.785 ' OE1' HD12 ' A' ' 55' ' ' ILE . 0.7 OUTLIER -142.64 154.22 44.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.07 117.09 32.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.756 ' HD3' HD11 ' A' ' 55' ' ' ILE . 33.9 ptt85 -116.18 149.74 38.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.542 ' OD1' HD13 ' A' ' 51' ' ' ILE . 13.6 m-20 -122.49 -175.85 3.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.4 t -53.8 -32.07 51.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.424 ' NZ ' ' HA ' ' A' ' 12' ' ' THR . 21.1 mmmt -73.57 -70.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -158.52 -160.65 10.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.417 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.536 ' SD ' HD12 ' A' ' 55' ' ' ILE . 48.1 mtm -104.51 156.39 17.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.5 -157.98 25.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 162.49 41.9 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.431 ' SD ' HD11 ' A' ' 66' ' ' ILE . 45.9 mtt -108.15 146.3 32.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.1 p -78.03 176.46 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -73.25 152.27 41.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.475 ' HB1' ' HB3' ' A' ' 93' ' ' TYR . . . -62.88 108.55 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.6 t -82.52 101.06 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -76.62 100.87 5.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -114.3 113.97 25.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -72.11 117.76 14.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.577 HG21 ' O ' ' A' ' 87' ' ' THR . 9.6 p -54.97 147.26 34.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.546 0.688 . . . . 0.0 111.152 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -141.45 155.61 45.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.76 110.81 9.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.073 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.8 m -123.35 175.41 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -82.38 131.52 10.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 101.77 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.7 p -100.0 168.98 9.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.5 t -69.59 110.32 4.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m 41.0 41.99 1.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 m -84.19 148.78 26.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.08 97.71 0.18 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 m -127.31 144.23 51.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 110.907 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -80.64 125.62 30.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.9 84.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.8 m -112.26 -54.11 2.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.788 0.328 . . . . 0.0 111.17 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -44.95 148.03 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -66.3 -60.23 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.808 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.41 48.52 0.51 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 13' ' ' THR . 55.9 m -91.31 -53.78 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 111.085 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 12' ' ' THR . 70.2 p -36.88 134.59 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.507 ' CG ' ' O ' ' A' ' 14' ' ' PHE . 3.0 p90 -68.23 118.04 10.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.502 ' C ' HD22 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -60.95 160.13 10.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.502 HD22 ' C ' ' A' ' 15' ' ' GLU . 3.3 mm? -117.04 117.28 29.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.4 m -55.34 153.41 13.8 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.601 0.715 . . . . 0.0 111.118 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 102.55 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -85.78 5.88 30.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 t -116.89 136.39 23.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 163.67 37.37 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.365 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 158.22 57.72 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.79 -179.04 3.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t70 53.56 27.76 7.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.495 HG13 HD12 ' A' ' 96' ' ' ILE . 92.8 t -67.0 107.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.5 p -136.72 147.3 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.77 112.55 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.2 m -111.75 -179.97 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.1 p -112.38 169.33 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -103.61 141.56 35.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -84.36 104.9 14.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 121.66 -28.82 5.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 1.5 tmtm? -128.77 101.64 20.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.539 0.685 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 33' ' ' LYS . 53.4 Cg_endo -69.79 -18.15 37.02 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -86.81 -7.21 58.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.409 HG23 ' HG2' ' A' ' 84' ' ' GLN . 99.5 m -111.83 150.18 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.537 HD11 ' CE2' ' A' ' 94' ' ' PHE . 7.2 pt -148.07 156.31 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 38' ' ' ILE . 4.3 mp -117.24 124.11 72.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.424 ' O ' ' CZ3' ' A' ' 41' ' ' TRP . 87.2 t -104.3 103.74 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -91.14 154.95 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.632 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 22.4 p90 -171.01 -176.84 2.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -146.8 161.19 38.47 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.576 0.703 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 151.19 69.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.39 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 163.46 38.14 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.647 2.231 . . . . 0.0 112.366 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -83.42 -20.39 34.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -100.28 38.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -46.6 -38.24 9.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 39.38 25.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . 161.85 145.63 4.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 141.64 6.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.612 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 10.7 mm -99.07 117.65 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.572 HG23 ' HA ' ' A' ' 100' ' ' ASN . 15.0 p -75.18 -49.12 20.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.185 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -166.38 -156.77 9.74 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.444 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.612 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 7.4 m-85 -151.54 156.35 40.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.852 0.358 . . . . 0.0 110.962 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.427 ' CG2' ' CZ ' ' A' ' 57' ' ' TYR . 42.7 mt -123.03 138.94 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.632 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 91.6 mt -118.25 130.14 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' CZ ' ' CG2' ' A' ' 55' ' ' ILE . 3.0 m-85 -118.95 123.56 44.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.536 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 4.3 p90 -133.08 137.27 46.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -155.21 150.43 27.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 40.7 p -60.17 -40.7 90.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.153 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -88.08 143.79 26.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 62' ' ' VAL . 7.3 p -97.58 -12.01 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.57 -13.51 15.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.51 134.22 24.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 68' ' ' ASP . 14.7 mt-10 -46.98 132.17 11.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.5 tp -42.18 -27.19 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.682 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 1.2 p-80 -69.67 -42.19 74.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.682 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -61.63 -23.64 66.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -69.17 145.15 53.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.469 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 5.5 p -76.2 154.89 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.9 mt -111.38 108.97 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -109.09 87.25 4.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 140.77 43.66 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.375 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.9 t -110.1 122.44 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.0 m -76.49 160.15 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.26 -173.91 0.95 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -86.88 36.29 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -73.67 146.01 44.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.511 ' HA ' ' CE2' ' A' ' 41' ' ' TRP . 7.6 mt -119.03 12.58 12.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.3 t -137.88 141.63 40.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -134.22 149.64 50.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -117.08 105.17 11.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.424 HD13 ' CD2' ' A' ' 58' ' ' TYR . 85.1 mt -99.98 126.45 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.409 ' HG2' HG23 ' A' ' 36' ' ' THR . 32.5 mt-30 -115.41 -176.41 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 59.61 37.01 22.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.5 mt -100.24 152.38 20.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.543 ' O ' HG21 ' A' ' 115' ' ' THR . 0.8 OUTLIER -77.69 151.28 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 89' ' ' ASP . 13.7 mt -97.8 177.07 5.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 88' ' ' LEU . 15.5 t0 36.91 43.62 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 51.9 m -146.82 127.17 6.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 111.139 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 108.84 2.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.369 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -102.54 130.23 49.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -98.45 116.47 30.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.537 ' CE2' HD11 ' A' ' 37' ' ' ILE . 34.4 m-85 -107.54 158.11 17.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -149.63 140.81 23.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.522 HD13 ' HB3' ' A' ' 41' ' ' TRP . 40.9 mt -117.11 153.36 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.418 ' N ' HG22 ' A' ' 96' ' ' ILE . 30.1 tt0 -154.52 136.3 14.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -101.32 126.65 48.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.462 ' CB ' ' HG2' ' A' ' 104' ' ' MET . 19.6 ptt180 -127.88 151.29 49.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.572 ' HA ' HG23 ' A' ' 52' ' ' THR . 0.6 OUTLIER -126.41 176.91 6.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.0 t -44.16 -34.7 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.46 ' N ' ' HE2' ' A' ' 102' ' ' LYS . 0.4 OUTLIER -65.95 -73.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -158.83 -149.77 5.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.462 ' HG2' ' CB ' ' A' ' 99' ' ' ARG . 57.6 mtm -116.26 156.7 26.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -103.97 -158.57 24.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 163.53 37.95 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.69 2.26 . . . . 0.0 112.301 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 27.7 mtt -105.58 122.67 46.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.5 p -54.49 160.22 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -65.29 140.78 58.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.42 116.73 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 84.4 t -89.18 101.52 12.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -76.8 100.72 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -115.98 114.57 24.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.1 ttm-85 -72.45 118.99 16.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.543 HG21 ' O ' ' A' ' 87' ' ' THR . 14.8 p -58.17 144.27 77.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.555 0.693 . . . . 0.0 111.164 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -138.72 157.09 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.58 45.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.7 t -89.63 48.6 1.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 51.25 177.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 150.44 68.53 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.738 2.292 . . . . 0.0 112.355 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.5 m -94.53 112.81 24.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 34.7 p -139.39 149.83 44.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.442 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 m -145.11 168.09 21.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.858 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -94.83 -47.08 6.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.16 64.47 3.23 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -118.87 40.16 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.389 . . . . 0.0 110.871 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.1 p -96.36 49.2 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.34 81.89 0.14 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -126.76 -2.73 6.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.747 0.308 . . . . 0.0 111.125 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.43 80.55 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -60.89 103.38 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -118.31 -76.15 0.53 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.451 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.0 m -45.1 106.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 111.151 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 t -80.49 118.47 22.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -125.44 124.46 41.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.498 ' C ' HD22 ' A' ' 16' ' ' LEU . 5.2 mp0 -111.8 148.61 33.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.639 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.8 mm? -116.96 109.94 17.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.0 m -44.97 154.1 0.47 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.624 0.726 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.456 ' O ' ' CD ' ' A' ' 106' ' ' PRO . 53.9 Cg_endo -69.74 107.26 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.724 2.283 . . . . 0.0 112.339 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.1 p -86.17 12.67 9.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 t -124.52 135.94 27.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 163.76 37.08 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.719 2.279 . . . . 0.0 112.33 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 168.59 21.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -128.85 179.9 5.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t0 52.72 35.27 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.488 ' CG1' HG21 ' A' ' 111' ' ' VAL . 75.8 t -68.1 108.43 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.5 p -136.45 144.32 44.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.648 HG22 HG22 ' A' ' 39' ' ' VAL . 59.9 t -132.72 112.02 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.73 176.31 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -115.53 157.11 24.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -93.13 146.08 23.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 32' ' ' GLY . 14.6 tp10 -74.27 -67.67 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 31' ' ' GLU . . . -36.35 -37.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.527 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -139.34 131.63 15.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.541 0.686 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -51.42 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' HZ3' ' HG3' ' A' ' 35' ' ' LYS . 18.6 mtmm -52.45 -43.05 64.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.4 m -62.92 140.73 58.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.2 pt -143.27 156.15 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.3 mp -118.92 130.53 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.648 HG22 HG22 ' A' ' 27' ' ' VAL . 53.5 t -117.13 111.9 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -102.67 150.92 22.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.537 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 33.5 p90 -160.68 -176.19 5.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -145.48 155.73 53.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.647 0.737 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 154.29 68.16 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 0.0 112.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 144.38 54.24 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.349 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.5 t -59.67 -47.5 85.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 47' ' ' ALA . 57.1 mm-40 -48.02 -50.17 28.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 34.29 51.37 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 47' ' ' ALA . 98.5 m-20 -34.34 -35.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -142.45 -152.19 5.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.542 ' O ' HD13 ' A' ' 51' ' ' ILE . 13.1 ptpt -84.34 177.51 8.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.312 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.569 HG21 ' CZ ' ' A' ' 54' ' ' TYR . 16.9 mm -133.25 122.98 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.3 p -96.8 -34.48 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.186 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.22 -169.29 35.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.569 ' CZ ' HG21 ' A' ' 51' ' ' ILE . 21.3 m-85 -142.49 172.0 13.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.858 0.361 . . . . 0.0 110.949 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.418 ' CG2' ' CZ ' ' A' ' 57' ' ' TYR . 28.7 mt -139.43 131.95 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.537 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 67.7 mt -111.99 134.3 54.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.418 ' CZ ' ' CG2' ' A' ' 55' ' ' ILE . 13.3 m-85 -120.92 122.61 40.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.842 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 3.1 p90 -134.61 151.43 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 t -171.18 144.06 2.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.588 HG22 ' CZ ' ' A' ' 92' ' ' TYR . 37.7 p -49.5 -51.78 33.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.632 ' CG ' ' HB2' ' A' ' 64' ' ' ALA . 1.1 p30 -73.6 157.07 37.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.454 ' HB ' ' CE1' ' A' ' 93' ' ' TYR . 9.3 p -111.21 -25.15 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -92.91 -14.55 27.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.632 ' HB2' ' CG ' ' A' ' 61' ' ' ASP . . . -51.78 140.41 19.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -53.13 136.87 35.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.0 tp -50.2 -20.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.544 ' CD2' ' C ' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -75.38 -34.23 61.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.857 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.528 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 29.4 t0 -68.94 -31.18 69.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -59.78 151.08 26.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.842 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 9.5 p -78.35 150.64 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.466 HG22 ' HD3' ' A' ' 73' ' ' PRO . 67.0 mt -104.33 116.68 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.731 ' OE1' HG13 ' A' ' 70' ' ' VAL . 4.8 mp0 -115.98 84.61 13.64 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.61 0.719 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.466 ' HD3' HG22 ' A' ' 71' ' ' ILE . 54.0 Cg_endo -69.77 142.51 48.07 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.633 2.222 . . . . 0.0 112.357 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.4 t -112.65 121.09 64.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.1 m -75.55 168.52 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.98 -168.91 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -91.94 42.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.362 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -78.7 139.07 38.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.462 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 62.3 mt -110.16 1.03 18.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -129.36 139.81 51.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -126.41 154.06 44.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -123.48 109.44 13.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.1 mt -107.2 145.22 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.07 -175.83 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 63.43 38.99 9.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.7 mt -104.33 149.62 25.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.508 ' O ' HG21 ' A' ' 115' ' ' THR . 19.9 m -75.73 137.17 40.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 89' ' ' ASP . 17.4 mt -82.67 -179.65 7.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 89' ' ' ASP . 24.7 t70 36.28 43.31 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.2 m -147.75 122.56 5.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 111.04 2.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.588 ' CZ ' HG22 ' A' ' 60' ' ' THR . 12.5 m-85 -105.6 147.68 28.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.506 ' HB3' ' HB1' ' A' ' 110' ' ' ALA . 30.9 m-85 -112.16 126.12 54.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -113.54 152.81 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -139.92 139.1 36.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.412 HD12 HG22 ' A' ' 25' ' ' VAL . 20.3 mt -112.82 144.32 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.428 ' CD ' ' HB3' ' A' ' 104' ' ' MET . 38.6 tt0 -149.91 141.74 23.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.29 158.09 16.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -154.95 145.15 21.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 102' ' ' LYS . 14.3 p-10 -127.81 -178.15 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.5 p -43.71 -22.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 100' ' ' ASN . 14.3 mmmt -83.89 -75.08 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -165.14 -155.43 8.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.535 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.428 ' HB3' ' CD ' ' A' ' 97' ' ' GLN . 29.6 mtm -93.95 176.72 6.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.35 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -124.61 -155.86 9.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.456 ' CD ' ' O ' ' A' ' 18' ' ' PRO . 53.5 Cg_endo -69.79 149.58 66.91 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 3.6 mtt -95.06 131.12 41.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.0 p -75.49 169.49 17.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -66.75 143.76 56.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.506 ' HB1' ' HB3' ' A' ' 93' ' ' TYR . . . -61.28 119.79 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.052 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.488 HG21 ' CG1' ' A' ' 25' ' ' VAL . 76.5 t -84.36 101.89 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -73.84 101.49 3.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -120.12 116.14 25.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -74.44 143.27 44.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.508 HG21 ' O ' ' A' ' 87' ' ' THR . 12.1 p -80.8 148.68 65.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 0.0 111.122 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -163.82 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.348 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -139.87 151.0 45.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.958 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.51 74.29 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.081 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.7 m -109.37 160.68 15.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -92.17 143.01 16.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -0.08 6.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.674 2.25 . . . . 0.0 112.377 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 t -38.3 104.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.826 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 96.2 p -47.99 141.68 5.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.45 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 m -119.83 170.66 9.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.372 . . . . 0.0 110.908 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 p -98.38 152.86 19.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.65 -60.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -52.65 129.12 28.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.928 0.394 . . . . 0.0 110.881 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 p -135.1 160.2 39.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.32 141.59 21.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 t -109.91 125.27 52.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 111.162 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.73 114.57 26.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -93.17 42.22 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.7 136.25 3.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.1 p -143.93 133.49 23.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 111.148 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.5 p -101.86 -46.23 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.19 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -58.99 145.75 40.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.716 ' C ' HD22 ' A' ' 16' ' ' LEU . 3.6 tp10 -148.58 173.97 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.716 HD22 ' C ' ' A' ' 15' ' ' GLU . 4.0 mm? -126.9 116.12 20.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.434 HG12 ' H ' ' A' ' 103' ' ' GLY . 10.4 m -53.41 154.21 6.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 111.158 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.408 ' O ' ' HD2' ' A' ' 106' ' ' PRO . 53.9 Cg_endo -69.78 98.68 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.734 2.289 . . . . 0.0 112.334 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.2 t -82.84 21.65 1.0 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 t -130.15 136.1 28.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.631 0.729 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 156.33 63.43 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.7 2.266 . . . . 0.0 112.292 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.09 51.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.627 2.218 . . . . 0.0 112.368 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.8 -176.49 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 56.19 30.43 16.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.536 HG22 HD12 ' A' ' 96' ' ' ILE . 68.9 t -66.98 106.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.3 p -132.76 146.59 51.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.155 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.6 t -132.6 106.43 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.6 m -112.71 165.52 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.1 p -94.62 153.2 17.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.617 ' HD2' HD11 ' A' ' 38' ' ' ILE . 15.5 tptp -73.7 145.9 44.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 10.4 tt0 -82.6 105.92 14.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.74 -42.12 2.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -109.08 110.89 60.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -33.27 16.5 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.644 2.229 . . . . 0.0 112.306 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -73.6 -10.48 59.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.7 m -111.17 143.22 42.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.2 pt -142.35 162.61 18.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.617 HD11 ' HD2' ' A' ' 30' ' ' LYS . 5.3 mp -122.0 138.49 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.4 t -126.9 127.9 70.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -116.94 166.67 11.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.544 ' CZ3' HD11 ' A' ' 56' ' ' ILE . 45.8 p90 -173.4 178.99 2.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -139.48 155.54 71.86 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.82 63.7 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 123.18 9.86 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.343 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -39.94 -33.57 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -60.44 -58.35 8.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 37.89 51.41 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' ALA . 97.6 m-20 -36.53 -29.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -146.42 166.43 28.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -55.1 108.03 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.591 HD13 ' OD1' ' A' ' 100' ' ' ASN . 29.1 mm -62.64 111.79 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.6 p -71.45 -39.35 71.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -175.83 -156.41 14.86 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.547 ' N ' HH12 ' A' ' 99' ' ' ARG . 0.2 OUTLIER -152.82 148.72 27.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.948 -179.84 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.687 HD12 HH21 ' A' ' 99' ' ' ARG . 26.0 mt -123.44 144.89 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.544 HD11 ' CZ3' ' A' ' 41' ' ' TRP . 96.0 mt -115.81 127.53 73.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -108.84 123.38 48.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.57 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 1.1 p90 -144.14 141.23 29.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.5 t -151.87 -176.37 5.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.1 p -96.68 27.23 4.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 62' ' ' VAL . 34.6 t0 -164.3 152.93 13.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.477 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 10.5 p -104.67 -15.81 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -94.03 -13.24 27.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.18 157.13 10.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 67' ' ' HIS . 12.3 mt-10 -83.26 135.55 34.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' GLU . 9.0 tp -34.86 -31.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' GLU . 1.8 m170 -54.03 -49.99 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.81 -34.98 79.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -54.04 121.35 7.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.553 HG11 ' CE2' ' A' ' 58' ' ' TYR . 3.6 p -57.5 154.46 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.495 HG22 ' HD3' ' A' ' 73' ' ' PRO . 95.7 mt -111.71 107.24 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -107.03 86.16 2.3 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.618 0.723 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.495 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.75 132.35 23.17 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.486 HG21 ' CH2' ' A' ' 41' ' ' TRP . 60.1 t -99.93 99.9 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.4 m -60.18 148.38 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.93 171.75 4.89 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 78' ' ' ARG . 3.4 p-10 -62.45 -10.34 11.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 77' ' ' ASN . 8.6 ttm-85 -34.32 145.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.451 ' O ' ' CE3' ' A' ' 41' ' ' TRP . 10.0 mt -122.57 15.3 10.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.7 t -130.56 152.77 49.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.186 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -144.49 145.76 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -112.74 116.02 29.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 78.6 mt -110.53 104.94 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -104.21 179.26 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 61.35 48.03 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.9 mt -106.1 178.84 4.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.62 ' O ' HG21 ' A' ' 115' ' ' THR . 15.7 m -102.22 146.08 28.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.2 mt -91.45 173.97 7.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.0 t70 38.75 41.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.5 m -146.76 120.46 5.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.593 0.711 . . . . 0.0 111.143 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.48 3.09 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -102.66 131.86 49.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.972 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -94.82 117.53 30.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -110.31 150.95 28.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -141.08 145.28 35.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.536 HD12 HG22 ' A' ' 25' ' ' VAL . 32.3 mt -119.56 160.01 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.521 ' N ' HG22 ' A' ' 96' ' ' ILE . 2.0 pt20 -157.76 176.34 12.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.58 140.9 31.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.687 HH21 HD12 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -138.3 154.23 49.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.591 ' OD1' HD13 ' A' ' 51' ' ' ILE . 0.8 OUTLIER -128.25 -176.13 3.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.8 t -43.01 -25.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -81.51 -75.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.434 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -165.81 -159.68 12.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.3 mtm -92.56 177.45 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -123.43 -160.35 10.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 18' ' ' PRO . 54.4 Cg_endo -69.71 143.46 51.14 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 17.6 mmt -73.17 144.94 46.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.8 p -81.63 177.27 9.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -73.23 131.39 41.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.08 115.96 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 86.4 t -89.07 102.26 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -81.08 105.7 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -121.88 117.02 25.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -71.94 137.47 47.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.62 HG21 ' O ' ' A' ' 87' ' ' THR . 19.4 p -76.3 145.91 77.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.568 0.699 . . . . 0.0 111.171 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -163.49 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -138.55 161.84 36.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.92 39.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.066 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.0 t -108.95 87.66 2.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 170.78 128.12 1.0 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 178.39 4.6 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 91.9 p -53.43 166.33 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.4 m -111.81 146.43 37.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -97.69 88.32 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.905 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 t -164.12 146.28 9.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.96 82.29 1.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.2 p -173.67 172.01 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -130.94 47.56 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.828 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.51 -141.28 34.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.8 p -101.81 58.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 111.116 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.07 124.89 7.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -115.79 -61.26 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.17 71.24 0.87 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.7 p -115.83 106.78 14.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 111.13 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.3 p -110.05 16.7 21.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -157.01 154.09 29.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -108.77 175.73 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.8 mt -144.17 109.62 5.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 103' ' ' GLY . 31.4 m -44.93 152.67 0.54 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.573 0.701 . . . . 0.0 111.168 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 98.55 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.676 2.25 . . . . 0.0 112.317 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 t -83.21 19.55 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.6 t -133.11 143.97 50.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 161.18 46.92 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -175.51 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -140.75 175.13 9.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 47.21 36.21 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.517 HG13 HD12 ' A' ' 96' ' ' ILE . 73.4 t -71.66 105.54 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -125.57 152.98 44.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.7 t -131.7 111.24 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -112.91 173.3 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 t -104.97 167.24 9.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 31' ' ' GLU . 15.9 tptp -85.96 149.02 25.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' N ' ' HG3' ' A' ' 30' ' ' LYS . 15.0 tt0 -78.67 100.95 7.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.9 -42.68 1.9 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -105.0 109.19 62.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.586 0.708 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -47.88 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -57.01 -16.98 8.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 94.6 m -101.9 136.42 41.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.3 pt -136.05 156.93 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.1 mp -121.57 118.55 56.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.3 t -95.34 120.56 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.46 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 0.3 OUTLIER -110.09 159.04 17.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.485 ' CG ' HD13 ' A' ' 96' ' ' ILE . 38.3 p90 -174.46 -179.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -139.84 156.72 70.65 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 143.74 51.92 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 163.09 39.58 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.3 t -64.54 -40.1 94.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' ALA . 28.1 mm-40 -43.27 -64.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 34.49 45.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -75.79 53.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 150.73 133.8 2.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -41.24 128.94 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.309 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.5 mm -79.98 142.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.4 p -116.65 -37.47 3.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.61 ' C ' ' CD1' ' A' ' 54' ' ' TYR . . . -172.99 -163.58 26.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 53' ' ' GLY . 4.0 m-85 -147.62 163.18 37.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.873 HD12 ' OE1' ' A' ' 97' ' ' GLN . 39.5 mt -131.15 124.24 55.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.193 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.429 HD11 ' HB2' ' A' ' 81' ' ' HIS . 27.3 mt -106.94 140.81 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -125.05 129.1 49.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.695 ' CZ ' HG11 ' A' ' 70' ' ' VAL . 4.7 p90 -140.11 151.42 45.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.939 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 t -172.72 157.12 3.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.576 HG22 ' CZ ' ' A' ' 92' ' ' TYR . 82.4 p -84.78 47.33 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.135 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.526 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 6.6 m-20 -171.89 118.47 0.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.2 p -80.05 -28.2 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -98.39 27.41 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.526 ' HB2' ' HB3' ' A' ' 61' ' ' ASP . . . -95.84 139.54 31.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 68' ' ' ASP . 2.7 mm-40 -49.36 134.87 18.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.9 tp -41.61 -38.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.532 ' CD2' ' N ' ' A' ' 68' ' ' ASP . 2.7 p-80 -61.99 -38.72 89.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.532 ' N ' ' CD2' ' A' ' 67' ' ' HIS . 38.1 t70 -57.48 -33.4 67.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -66.57 138.61 57.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.695 HG11 ' CZ ' ' A' ' 58' ' ' TYR . 9.5 p -73.77 151.76 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.571 HG22 ' HD3' ' A' ' 73' ' ' PRO . 89.4 mt -103.23 111.8 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.67 ' OE1' HG13 ' A' ' 70' ' ' VAL . 1.1 mp0 -109.2 83.54 2.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.638 0.732 . . . . 0.0 110.932 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.571 ' HD3' HG22 ' A' ' 71' ' ' ILE . 53.7 Cg_endo -69.75 121.79 8.48 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.489 ' CG1' ' HB3' ' A' ' 78' ' ' ARG . 97.8 t -93.52 104.98 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 36.0 m -59.91 159.78 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 55.04 172.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -79.29 66.46 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.489 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 3.6 tpt180 -99.0 143.84 28.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.42 ' O ' ' CD2' ' A' ' 41' ' ' TRP . 76.3 mt -109.63 1.07 19.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.6 t -131.64 147.49 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.429 ' HB2' HD11 ' A' ' 56' ' ' ILE . 21.8 t60 -132.89 152.91 51.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -123.48 127.53 48.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.0 mt -126.75 118.23 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.5 ' O ' ' CG ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -109.94 -174.09 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 84' ' ' GLN . 10.9 pt-20 46.53 55.05 8.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 32.8 mt -106.91 -175.34 2.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.661 ' O ' HG21 ' A' ' 115' ' ' THR . 2.6 m -104.39 132.79 50.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.0 mt -90.94 177.75 6.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 65.6 t0 38.21 39.63 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.503 HG23 ' HD2' ' A' ' 91' ' ' PRO . 53.2 m -148.44 134.98 10.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.586 0.707 . . . . 0.0 111.138 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.503 ' HD2' HG23 ' A' ' 90' ' ' THR . 54.2 Cg_endo -69.75 128.75 16.49 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.382 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.576 ' CZ ' HG22 ' A' ' 60' ' ' THR . 8.3 m-85 -130.75 129.82 42.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -102.9 135.7 44.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -121.17 151.78 39.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -142.32 130.46 22.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.517 HD12 HG13 ' A' ' 25' ' ' VAL . 51.2 mt -103.35 143.44 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.873 ' OE1' HD12 ' A' ' 55' ' ' ILE . 18.1 tt0 -139.72 137.98 35.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -101.72 141.71 34.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.443 ' HD3' HD11 ' A' ' 55' ' ' ILE . 11.2 ptt85 -144.12 148.18 34.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 100' ' ' ASN . 4.5 p30 -127.11 -176.48 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.4 t -40.3 -39.53 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -66.81 -75.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.418 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -164.74 -161.37 13.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.42 ' HA ' ' CB ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -97.32 -179.45 4.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.756 0.313 . . . . 0.0 110.918 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -130.76 -158.54 9.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 173.38 11.01 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.761 2.307 . . . . 0.0 112.364 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -111.47 153.31 26.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.4 p -84.68 157.6 21.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -48.84 143.33 5.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -55.84 106.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.076 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 83.1 t -82.03 103.6 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -77.09 119.26 20.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -131.61 108.78 9.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -70.98 125.44 26.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.661 HG21 ' O ' ' A' ' 87' ' ' THR . 4.7 p -66.93 142.99 97.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 0.0 111.109 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -163.54 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -138.34 158.3 44.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.08 42.94 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.5 t -106.65 128.57 54.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 104.55 87.62 2.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.451 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 172.68 12.24 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.4 m -82.06 167.37 18.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.1 t -119.55 131.97 55.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.996 . . . . . . . . 0 0 . 1 stop_ save_